(2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide

C16H20N2OS — CID 7821052

IUPAC(2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C16H20N2OS/c1-13(20-14-8-4-2-5-9-14)15(19)18-16(12-17)10-6-3-7-11-16/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyHKNSGZSCSONCGM-CYBMUJFWSA-N
MW288.42 g/mol
LogP3.51
Rot. Bonds4

About (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide

(2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide (PubChem CID 7821052) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
PubChem CID7821052
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C16H20N2OS/c1-13(20-14-8-4-2-5-9-14)15(19)18-16(12-17)10-6-3-7-11-16/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyHKNSGZSCSONCGM-CYBMUJFWSA-N
XLogP3.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 900385
N-(1,1-dimethylpropyl)-2-phenyl-2-(phenylthio)acetamide
CID 2953339
N-(1-cyanocyclohexyl)-2-[(2-fluorophenyl)sulfanyl]acetamide
CID 4783025
N-(1-cyanocyclohexyl)-2-[(4-fluorophenyl)sulfanyl]-N-methylacetamide
CID 8892716
n-(Tert-butyl)-3-(phenylthio)propanamide
CID 875421
N-(1-Cyanocyclohexyl)-2-((2,4-dimethylphenyl)thio)acetamide
CID 2506936
N-tert-butyl-2-(phenylsulfanyl)propanamide
CID 2889192
N-tert-butyl-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2943661
N-(1-cyanocyclohexyl)-2-[(4-fluorophenyl)sulfanyl]propanamide
CID 16504464
N-(1-cyano-1-cyclopropylethyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 45632905
N-(1-cyanocyclopropyl)-2-[(4-fluorophenyl)sulfanylmethyl]cyclohexane-1-carboxamide
CID 69114865
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 4780456

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide (CID 7821052) is (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide is C[C@@H](Sc1ccccc1)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide?
The InChIKey is HKNSGZSCSONCGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13(20-14-8-4-2-5-9-14)15(19)18-16(12-17)10-6-3-7-11-16/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide?
(2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide has a molecular weight of 288.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 7821052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).