N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride

C16H25ClN2OS — CID 119609155

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccc(SCC(=O)NC2CCCCC2CN)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-12-6-8-14(9-7-12)20-11-16(19)18-15-5-3-2-4-13(15)10-17;/h6-9,13,15H,2-5,10-11,17H2,1H3,(H,18,19);1H
InChIKeyWSVUEKSTJWKNLH-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride (PubChem CID 119609155) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
PubChem CID119609155
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccc(SCC(=O)NC2CCCCC2CN)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-12-6-8-14(9-7-12)20-11-16(19)18-15-5-3-2-4-13(15)10-17;/h6-9,13,15H,2-5,10-11,17H2,1H3,(H,18,19);1H
InChIKeyWSVUEKSTJWKNLH-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119612327
N-[2-(aminomethyl)cyclohexyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 119611368
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 119602529
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 119603715
N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 119604496
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602483
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2896571

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride (CID 119609155) is N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride is Cc1ccc(SCC(=O)NC2CCCCC2CN)cc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is WSVUEKSTJWKNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-12-6-8-14(9-7-12)20-11-16(19)18-15-5-3-2-4-13(15)10-17;/h6-9,13,15H,2-5,10-11,17H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119609155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).