2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride

C15H23ClN2OS — CID 119344397

IUPAC2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
SMILESCc1ccc(SC2(CNC(=O)CN)CCCC2)cc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-12-4-6-13(7-5-12)19-15(8-2-3-9-15)11-17-14(18)10-16;/h4-7H,2-3,8-11,16H2,1H3,(H,17,18);1H
InChIKeyWPUFMSREYCJMED-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.90
Rot. Bonds5

About 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride

2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride (PubChem CID 119344397) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
PubChem CID119344397
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
SMILESCc1ccc(SC2(CNC(=O)CN)CCCC2)cc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-12-4-6-13(7-5-12)19-15(8-2-3-9-15)11-17-14(18)10-16;/h4-7H,2-3,8-11,16H2,1H3,(H,17,18);1H
InChIKeyWPUFMSREYCJMED-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
CID 120502289
2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
CID 119820132
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide
CID 122146653
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119820136
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820120
4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
CID 119820121

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride (CID 119344397) is 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride is Cc1ccc(SC2(CNC(=O)CN)CCCC2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride?
The InChIKey is WPUFMSREYCJMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-12-4-6-13(7-5-12)19-15(8-2-3-9-15)11-17-14(18)10-16;/h4-7H,2-3,8-11,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride?
2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119344397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).