1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide

C11H22N2O2S — CID 115739260

IUPAC1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide
SMILESCS(=O)CCCNC(=O)C1(CN)CCCC1
InChIInChI=1S/C11H22N2O2S/c1-16(15)8-4-7-13-10(14)11(9-12)5-2-3-6-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyKANJBBDKODLDCL-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.39
Rot. Bonds6

About 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide (PubChem CID 115739260) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide
PubChem CID115739260
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide
SMILESCS(=O)CCCNC(=O)C1(CN)CCCC1
InChIInChI=1S/C11H22N2O2S/c1-16(15)8-4-7-13-10(14)11(9-12)5-2-3-6-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyKANJBBDKODLDCL-UHFFFAOYSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.39
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

4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfinylpropyl)cycloheptane-1-carboxamide
CID 104866156
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide (CID 115739260) is 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide is CS(=O)CCCNC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide?
The InChIKey is KANJBBDKODLDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16(15)8-4-7-13-10(14)11(9-12)5-2-3-6-11/h2-9,12H2,1H3,(H,13,14).
What are the key properties of 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115739260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).