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

C12H19N3O4S — CID 103871490

IUPAC4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCC(C)(O)C2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-12(17)4-5-15(8-12)20(18,19)9-6-10(11(16)13-2)14(3)7-9/h6-7,17H,4-5,8H2,1-3H3,(H,13,16)
InChIKeyQVWXSOOQKHZOIH-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.47
Rot. Bonds3

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

4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 103871490) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID103871490
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCC(C)(O)C2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-12(17)4-5-15(8-12)20(18,19)9-6-10(11(16)13-2)14(3)7-9/h6-7,17H,4-5,8H2,1-3H3,(H,13,16)
InChIKeyQVWXSOOQKHZOIH-UHFFFAOYSA-N
XLogP-0.47
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
CID 43362225
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide
CID 81103089
1-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 103355705
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 65461558
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103576446
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
N,1-dimethyl-4-[(4-methylpiperidin-4-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720016
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120778149
3-amino-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323895
4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 107390951

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (CID 103871490) is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCC(C)(O)C2)cn1C.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is QVWXSOOQKHZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-12(17)4-5-15(8-12)20(18,19)9-6-10(11(16)13-2)14(3)7-9/h6-7,17H,4-5,8H2,1-3H3,(H,13,16).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 103871490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).