1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C14H21ClN2O2S — CID 119327475

IUPAC1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCS(=O)Cc1cccc(NC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-19(18)10-11-5-4-6-12(9-11)16-13(17)14(15)7-2-3-8-14;/h4-6,9H,2-3,7-8,10,15H2,1H3,(H,16,17);1H
InChIKeyYZYJRNZIKXOHOC-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.20
Rot. Bonds4

About 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119327475) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119327475
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCS(=O)Cc1cccc(NC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-19(18)10-11-5-4-6-12(9-11)16-13(17)14(15)7-2-3-8-14;/h4-6,9H,2-3,7-8,10,15H2,1H3,(H,16,17);1H
InChIKeyYZYJRNZIKXOHOC-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119288741
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CID 119306290
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
methyl 2-[[3-[(1-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318856
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
2-[2-[3-[[(S)-methylsulfinyl]methyl]anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 99774176
1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 119899053
1-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119790098

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119327475) is 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is CS(=O)Cc1cccc(NC(=O)C2(N)CCCC2)c1.Cl.
What is the InChIKey of 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is YZYJRNZIKXOHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.ClH/c1-19(18)10-11-5-4-6-12(9-11)16-13(17)14(15)7-2-3-8-14;/h4-6,9H,2-3,7-8,10,15H2,1H3,(H,16,17);1H.
What are the key properties of 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119327475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).