4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride

C13H23ClN4O3S — CID 119974812

IUPAC4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1.Cl
InChIInChI=1S/C13H22N4O3S.ClH/c1-9(14)10-3-5-17(6-4-10)21(19,20)11-7-12(13(15)18)16(2)8-11;/h7-10H,3-6,14H2,1-2H3,(H2,15,18);1H
InChIKeyLAKALCVVNGPIBB-UHFFFAOYSA-N
MW350.87 g/mol
LogP0.29
Rot. Bonds4

About 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride

4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119974812) has the molecular formula C13H23ClN4O3S and a molecular weight of 350.87 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119974812
Molecular FormulaC13H23ClN4O3S
Molecular Weight350.87 g/mol
Exact Mass350.12
IUPAC Name4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1.Cl
InChIInChI=1S/C13H22N4O3S.ClH/c1-9(14)10-3-5-17(6-4-10)21(19,20)11-7-12(13(15)18)16(2)8-11;/h7-10H,3-6,14H2,1-2H3,(H2,15,18);1H
InChIKeyLAKALCVVNGPIBB-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-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390
1-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563909
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 30291355
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide
CID 81103089
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 24667159
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 42940236
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 114960857
1-methyl-4-(1,4-thiazepan-4-ylsulfonyl)pyrrole-2-carboxamide
CID 86992432
1-methyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563839
1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 104976475

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119974812) is 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride is CC(N)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1.Cl.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is LAKALCVVNGPIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S.ClH/c1-9(14)10-3-5-17(6-4-10)21(19,20)11-7-12(13(15)18)16(2)8-11;/h7-10H,3-6,14H2,1-2H3,(H2,15,18);1H.
What are the key properties of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
4-[4-(1-aminoethyl)piperidin-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-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119974812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).