1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride

C14H22ClN3O3S — CID 119700920

IUPAC1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-21(19,20)17-12-6-4-11(5-7-12)16-13(18)14(10-15)8-2-3-9-14;/h4-7,17H,2-3,8-10,15H2,1H3,(H,16,18);1H
InChIKeyMHTMPUPHYZHHMC-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.94
Rot. Bonds5

About 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119700920) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119700920
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-21(19,20)17-12-6-4-11(5-7-12)16-13(18)14(10-15)8-2-3-9-14;/h4-7,17H,2-3,8-10,15H2,1H3,(H,16,18);1H
InChIKeyMHTMPUPHYZHHMC-UHFFFAOYSA-N
XLogP1.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 81486575
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1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
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1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
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1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
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1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685728
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119700920) is 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride is CS(=O)(=O)Nc1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl.
What is the InChIKey of 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is MHTMPUPHYZHHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-21(19,20)17-12-6-4-11(5-7-12)16-13(18)14(10-15)8-2-3-9-14;/h4-7,17H,2-3,8-10,15H2,1H3,(H,16,18);1H.
What are the key properties of 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119700920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).