5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide

C11H17N3O4S — CID 66291736

IUPAC5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)C2)n(C)c1
InChIInChI=1S/C11H17N3O4S/c1-12-19(17,18)9-5-10(13(2)7-9)11(16)14-4-3-8(15)6-14/h5,7-8,12,15H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyJXSAWQWAYTZQFY-MRVPVSSYSA-N
MW287.34 g/mol
LogP-0.86
Rot. Bonds3

About 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide

5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide (PubChem CID 66291736) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
PubChem CID66291736
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)C2)n(C)c1
InChIInChI=1S/C11H17N3O4S/c1-12-19(17,18)9-5-10(13(2)7-9)11(16)14-4-3-8(15)6-14/h5,7-8,12,15H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyJXSAWQWAYTZQFY-MRVPVSSYSA-N
XLogP-0.86
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide
CID 55815802
(4-bromo-1-methylpyrrol-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916212
N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide
CID 35787554
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
CID 33321412
5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
CID 34452289
N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide
CID 55815707
1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 115687304
N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide
CID 32621051
N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide
CID 55925471
[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
CID 119543393
(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261632
5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
CID 34403892

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide (CID 66291736) is 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)C2)n(C)c1.
What is the InChIKey of 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide?
The InChIKey is JXSAWQWAYTZQFY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-12-19(17,18)9-5-10(13(2)7-9)11(16)14-4-3-8(15)6-14/h5,7-8,12,15H,3-4,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide?
5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 66291736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).