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

C12H20N4O3S — CID 103576446

IUPAC4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CC(C)C(N)C2)cn1C
InChIInChI=1S/C12H20N4O3S/c1-8-5-16(7-10(8)13)20(18,19)9-4-11(12(17)14-2)15(3)6-9/h4,6,8,10H,5,7,13H2,1-3H3,(H,14,17)
InChIKeyLNCWATVFBLCKBL-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.65
Rot. Bonds3

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

4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 103576446) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID103576446
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CC(C)C(N)C2)cn1C
InChIInChI=1S/C12H20N4O3S/c1-8-5-16(7-10(8)13)20(18,19)9-4-11(12(17)14-2)15(3)6-9/h4,6,8,10H,5,7,13H2,1-3H3,(H,14,17)
InChIKeyLNCWATVFBLCKBL-UHFFFAOYSA-N
XLogP-0.65
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 ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
CID 120766723
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 16780041
N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
CID 43362225
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
CID 119984931
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103871490
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 154852961
4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 55029596
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585444

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (CID 103576446) is 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CC(C)C(N)C2)cn1C.
What is the InChIKey of 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is LNCWATVFBLCKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-8-5-16(7-10(8)13)20(18,19)9-4-11(12(17)14-2)15(3)6-9/h4,6,8,10H,5,7,13H2,1-3H3,(H,14,17).
What are the key properties of 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 103576446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).