1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride

C12H25ClN2OS — CID 119327797

IUPAC1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCSCCC(C)NC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-3-16-9-6-10(2)14-11(15)12(13)7-4-5-8-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeySBDSBAKNMTUMDC-UHFFFAOYSA-N
MW280.87 g/mol
LogP2.33
Rot. Bonds6

About 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride

1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119327797) has the molecular formula C12H25ClN2OS and a molecular weight of 280.87 g/mol. Its IUPAC name is 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119327797
Molecular FormulaC12H25ClN2OS
Molecular Weight280.87 g/mol
Exact Mass280.14
IUPAC Name1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCSCCC(C)NC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-3-16-9-6-10(2)14-11(15)12(13)7-4-5-8-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeySBDSBAKNMTUMDC-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.87
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
CID 81179948
4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 115763417
1-amino-N-(3-methylpentan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119300951
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 82945894
1-amino-N-(4-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119327905
1-amino-N-(1-ethoxypropan-2-yl)cyclobutane-1-carboxamide
CID 81168256
1-amino-3-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 115740076
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114830086

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119327797) is 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride is CCSCCC(C)NC(=O)C1(N)CCCC1.Cl.
What is the InChIKey of 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is SBDSBAKNMTUMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS.ClH/c1-3-16-9-6-10(2)14-11(15)12(13)7-4-5-8-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 280.87 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119327797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).