N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride

C17H29ClN4O3S — CID 119565471

IUPACN-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1(CN)CCCC1
InChIInChI=1S/C17H28N4O3S.ClH/c1-20-12-14(25(23,24)21-9-5-2-6-10-21)11-15(20)16(22)19-17(13-18)7-3-4-8-17;/h11-12H,2-10,13,18H2,1H3,(H,19,22);1H
InChIKeyWWNXCMSEUYMTIJ-UHFFFAOYSA-N
MW404.96 g/mol
LogP1.62
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119565471) has the molecular formula C17H29ClN4O3S and a molecular weight of 404.96 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
PubChem CID119565471
Molecular FormulaC17H29ClN4O3S
Molecular Weight404.96 g/mol
Exact Mass404.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1(CN)CCCC1
InChIInChI=1S/C17H28N4O3S.ClH/c1-20-12-14(25(23,24)21-9-5-2-6-10-21)11-15(20)16(22)19-17(13-18)7-3-4-8-17;/h11-12H,2-10,13,18H2,1H3,(H,19,22);1H
InChIKeyWWNXCMSEUYMTIJ-UHFFFAOYSA-N
XLogP1.62
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 99167779
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 62519693
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
3-methyl-2-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]butanoic acid
CID 119170435
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510648
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride (CID 119565471) is N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is WWNXCMSEUYMTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.ClH/c1-20-12-14(25(23,24)21-9-5-2-6-10-21)11-15(20)16(22)19-17(13-18)7-3-4-8-17;/h11-12H,2-10,13,18H2,1H3,(H,19,22);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119565471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).