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

C13H22N4O3S — CID 114960857

IUPAC4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1CN
InChIInChI=1S/C13H22N4O3S/c1-9-3-4-17(7-10(9)6-14)21(19,20)11-5-12(13(15)18)16(2)8-11/h5,8-10H,3-4,6-7,14H2,1-2H3,(H2,15,18)
InChIKeyIGJMUMKPFXCFRB-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.27
Rot. Bonds4

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

4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide (PubChem CID 114960857) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
PubChem CID114960857
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1CN
InChIInChI=1S/C13H22N4O3S/c1-9-3-4-17(7-10(9)6-14)21(19,20)11-5-12(13(15)18)16(2)8-11/h5,8-10H,3-4,6-7,14H2,1-2H3,(H2,15,18)
InChIKeyIGJMUMKPFXCFRB-UHFFFAOYSA-N
XLogP-0.27
TPSA111.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 120766300
1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 104976475
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984843
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119974812
4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 55029596
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390
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-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960889
1-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563909

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide (CID 114960857) is 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide is CC1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1CN.
What is the InChIKey of 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The InChIKey is IGJMUMKPFXCFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-9-3-4-17(7-10(9)6-14)21(19,20)11-5-12(13(15)18)16(2)8-11/h5,8-10H,3-4,6-7,14H2,1-2H3,(H2,15,18).
What are the key properties of 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114960857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).