(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide

C17H26N2OS — CID 170897786

IUPAC(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)N(C)C2CCC(N)CC2)cc1
InChIInChI=1S/C17H26N2OS/c1-12-4-10-16(11-5-12)21-13(2)17(20)19(3)15-8-6-14(18)7-9-15/h4-5,10-11,13-15H,6-9,18H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeyUERFRUWAXNOHSV-NFOMZHRRSA-N
MW306.48 g/mol
LogP3.20
Rot. Bonds4

About (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide

(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 170897786) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID170897786
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)N(C)C2CCC(N)CC2)cc1
InChIInChI=1S/C17H26N2OS/c1-12-4-10-16(11-5-12)21-13(2)17(20)19(3)15-8-6-14(18)7-9-15/h4-5,10-11,13-15H,6-9,18H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeyUERFRUWAXNOHSV-NFOMZHRRSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 132760057
N-methyl-2-(4-methylphenyl)sulfanyl-N-[4-(prop-2-enoylamino)cyclohexyl]propanamide
CID 154875310
N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 166261418
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
CID 78917483
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 8740701
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 119552617
N-(4-aminocyclohexyl)-2-methoxy-N-methylpropanamide
CID 115737651
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550046
2-amino-N-(4,4-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312536
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
CID 79121701
2-amino-N-(4-ethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312221

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide (CID 170897786) is (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)N(C)C2CCC(N)CC2)cc1.
What is the InChIKey of (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is UERFRUWAXNOHSV-NFOMZHRRSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12-4-10-16(11-5-12)21-13(2)17(20)19(3)15-8-6-14(18)7-9-15/h4-5,10-11,13-15H,6-9,18H2,1-3H3/t13-,14?,15?/m0/s1.
What are the key properties of (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 306.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 170897786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).