1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide

C13H20N4O4S — CID 56808378

IUPAC1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCC(C(N)=O)C2)cn1C
InChIInChI=1S/C13H20N4O4S/c1-15-13(19)11-6-10(8-16(11)2)22(20,21)17-5-3-4-9(7-17)12(14)18/h6,8-9H,3-5,7H2,1-2H3,(H2,14,18)(H,15,19)
InChIKeySWFFTXUDCWJXFG-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.73
Rot. Bonds4

About 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide

1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 56808378) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
PubChem CID56808378
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC Name1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCC(C(N)=O)C2)cn1C
InChIInChI=1S/C13H20N4O4S/c1-15-13(19)11-6-10(8-16(11)2)22(20,21)17-5-3-4-9(7-17)12(14)18/h6,8-9H,3-5,7H2,1-2H3,(H2,14,18)(H,15,19)
InChIKeySWFFTXUDCWJXFG-UHFFFAOYSA-N
XLogP-0.73
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 95249956
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
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-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
4-(2-formylpiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 63844494
1-methyl-4-[3-(methylamino)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 120715115
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide (CID 56808378) is 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCCC(C(N)=O)C2)cn1C.
What is the InChIKey of 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is SWFFTXUDCWJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-15-13(19)11-6-10(8-16(11)2)22(20,21)17-5-3-4-9(7-17)12(14)18/h6,8-9H,3-5,7H2,1-2H3,(H2,14,18)(H,15,19).
What are the key properties of 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide?
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 56808378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).