5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide

C9H13N3O3S — CID 168718383

IUPAC5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2ccc[nH]2)C1
InChIInChI=1S/C9H13N3O3S/c10-16(14,15)8-4-9(13)12(6-8)5-7-2-1-3-11-7/h1-3,8,11H,4-6H2,(H2,10,14,15)
InChIKeyPQQQGCGMGXDIGM-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.60
Rot. Bonds3

About 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide

5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide (PubChem CID 168718383) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
PubChem CID168718383
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2ccc[nH]2)C1
InChIInChI=1S/C9H13N3O3S/c10-16(14,15)8-4-9(13)12(6-8)5-7-2-1-3-11-7/h1-3,8,11H,4-6H2,(H2,10,14,15)
InChIKeyPQQQGCGMGXDIGM-UHFFFAOYSA-N
XLogP-0.60
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717902
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718297
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718330
5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718375
1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718434
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437
1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718272
5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
CID 168716757
1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718315

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide (CID 168718383) is 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(Cc2ccc[nH]2)C1.
What is the InChIKey of 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide?
The InChIKey is PQQQGCGMGXDIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-16(14,15)8-4-9(13)12(6-8)5-7-2-1-3-11-7/h1-3,8,11H,4-6H2,(H2,10,14,15).
What are the key properties of 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide?
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide has a molecular weight of 243.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).