(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide

C18H24N2OS — CID 8633916

IUPAC(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1C
InChIInChI=1S/C18H24N2OS/c1-13-7-8-16(11-14(13)2)22-15(3)17(21)20-18(12-19)9-5-4-6-10-18/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyBYIOHMPSYDEDLG-HNNXBMFYSA-N
MW316.47 g/mol
LogP4.13
Rot. Bonds4

About (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide

(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 8633916) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID8633916
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1C
InChIInChI=1S/C18H24N2OS/c1-13-7-8-16(11-14(13)2)22-15(3)17(21)20-18(12-19)9-5-4-6-10-18/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyBYIOHMPSYDEDLG-HNNXBMFYSA-N
XLogP4.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 87017619
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(1-cyanocyclohexyl)propanamide
CID 9288919
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 8708866
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 8708865
(2S)-N-(1-cyanocyclohexyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826546
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9362265
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78650893
(2S)-N-(1-cyanocyclohexyl)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8857545
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
(2S)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 2565156

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide (CID 8633916) is (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1C.
What is the InChIKey of (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is BYIOHMPSYDEDLG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13-7-8-16(11-14(13)2)22-15(3)17(21)20-18(12-19)9-5-4-6-10-18/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide?
(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 316.47 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 8633916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).