N-[2-(cyclohexen-1-yl)ethyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide

Formula:C24H33N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-(cyclohexen-1-yl)ethyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide is a drug-like molecule.

MolName	N-[2-(cyclohexen-1-yl)ethyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide
MolecularFormula	C24H33N3OS2
Smiles	O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(NCCC2=CCCCC2)=S)CC1
InChI	InChI=1S/C24H33N3OS2/c28-22(7-6-21-9-17-30-18-21)26-14-10-24(11-15-26)12-16-27(19-24)23(29)25-13-8-20-4-2-1-3-5-20/h4,6-7,9,17-18H,1-3,5,8,10-16,19H2,(H,25,29)
InChIK	CSCYILHWBIEZJW-UHFFFAOYSA-N
TotalMolweight	443.678
Molweight	443.678
MonoisotopicMass	443.206502
CLogP	4.8312
CLogS	-4.238
H Acceptors	4
H Donors	1
TotalSurfaceArea	351.72
Relative PSA	0.22734
PolarSurfaceArea	95.91
Druglikeness	-1.1288
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	15
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[2-(cyclohexen-1-yl)ethyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide | 2 - N-[2-(cyclohexen-1-yl)ethyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide

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