4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide

C12H20N4O3S — CID 43605489

IUPAC4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCC(N)C2)cn1C
InChIInChI=1S/C12H20N4O3S/c1-14-12(17)11-6-10(8-15(11)2)20(18,19)16-5-3-4-9(13)7-16/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,17)
InChIKeyRMEBUEMCCUKGOX-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.50
Rot. Bonds3

About 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide

4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 43605489) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID43605489
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCC(N)C2)cn1C
InChIInChI=1S/C12H20N4O3S/c1-14-12(17)11-6-10(8-15(11)2)20(18,19)16-5-3-4-9(13)7-16/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,17)
InChIKeyRMEBUEMCCUKGOX-UHFFFAOYSA-N
XLogP-0.50
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 55029596
4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103576446
N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
CID 43362225
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
1-methyl-4-[3-(methylamino)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 120715115
N-(3,5-dimethylphenyl)-1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 95074371
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
CID 119984931
4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
CID 120766723
1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 120827627
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103871490

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (CID 43605489) is 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCCC(N)C2)cn1C.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is RMEBUEMCCUKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-14-12(17)11-6-10(8-15(11)2)20(18,19)16-5-3-4-9(13)7-16/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,17).
What are the key properties of 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 43605489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).