4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride

C13H23ClN4O3S — CID 119984843

IUPAC4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC1CCCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1CN.Cl
InChIInChI=1S/C13H22N4O3S.ClH/c1-9-4-3-5-17(12(9)7-14)21(19,20)10-6-11(13(15)18)16(2)8-10;/h6,8-9,12H,3-5,7,14H2,1-2H3,(H2,15,18);1H
InChIKeyLOYBBIXDOIVPIT-UHFFFAOYSA-N
MW350.87 g/mol
LogP0.29
Rot. Bonds4

About 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride

4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119984843) has the molecular formula C13H23ClN4O3S and a molecular weight of 350.87 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119984843
Molecular FormulaC13H23ClN4O3S
Molecular Weight350.87 g/mol
Exact Mass350.12
IUPAC Name4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC1CCCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1CN.Cl
InChIInChI=1S/C13H22N4O3S.ClH/c1-9-4-3-5-17(12(9)7-14)21(19,20)10-6-11(13(15)18)16(2)8-10;/h6,8-9,12H,3-5,7,14H2,1-2H3,(H2,15,18);1H
InChIKeyLOYBBIXDOIVPIT-UHFFFAOYSA-N
XLogP0.29
TPSA111.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
CID 119984931
methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423589
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 114960857
[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124688215
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390
[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 102553899
4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 97261479
1-[5-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119984768
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119984843) is 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride is CC1CCCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1CN.Cl.
What is the InChIKey of 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is LOYBBIXDOIVPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S.ClH/c1-9-4-3-5-17(12(9)7-14)21(19,20)10-6-11(13(15)18)16(2)8-10;/h6,8-9,12H,3-5,7,14H2,1-2H3,(H2,15,18);1H.
What are the key properties of 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119984843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).