4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride

C13H23ClN4O3S — CID 119984390

IUPAC4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1.Cl
InChIInChI=1S/C13H22N4O3S.ClH/c1-9(14)10-4-3-5-17(7-10)21(19,20)11-6-12(13(15)18)16(2)8-11;/h6,8-10H,3-5,7,14H2,1-2H3,(H2,15,18);1H
InChIKeyMIOPFNPMBALDKX-UHFFFAOYSA-N
MW350.87 g/mol
LogP0.29
Rot. Bonds4

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

4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119984390) has the molecular formula C13H23ClN4O3S and a molecular weight of 350.87 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119984390
Molecular FormulaC13H23ClN4O3S
Molecular Weight350.87 g/mol
Exact Mass350.12
IUPAC Name4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1.Cl
InChIInChI=1S/C13H22N4O3S.ClH/c1-9(14)10-4-3-5-17(7-10)21(19,20)11-6-12(13(15)18)16(2)8-11;/h6,8-10H,3-5,7,14H2,1-2H3,(H2,15,18);1H
InChIKeyMIOPFNPMBALDKX-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-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119974812
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
dimethyl 5-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate;hydrochloride
CID 119984455
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63853842
(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 124553890
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 104976475
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 114960857
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119984390) is 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride is CC(N)C1CCCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1.Cl.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is MIOPFNPMBALDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S.ClH/c1-9(14)10-4-3-5-17(7-10)21(19,20)11-6-12(13(15)18)16(2)8-11;/h6,8-10H,3-5,7,14H2,1-2H3,(H2,15,18);1H.
What are the key properties of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
4-[3-(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-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119984390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).