5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide

C9H12N4O3S — CID 168718437

IUPAC5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cnccn2)C1
InChIInChI=1S/C9H12N4O3S/c10-17(15,16)8-3-9(14)13(6-8)5-7-4-11-1-2-12-7/h1-2,4,8H,3,5-6H2,(H2,10,15,16)
InChIKeyDPLJLFGQRSWVPV-UHFFFAOYSA-N
MW256.29 g/mol
LogP-1.13
Rot. Bonds3

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

5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide (PubChem CID 168718437) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
PubChem CID168718437
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cnccn2)C1
InChIInChI=1S/C9H12N4O3S/c10-17(15,16)8-3-9(14)13(6-8)5-7-4-11-1-2-12-7/h1-2,4,8H,3,5-6H2,(H2,10,15,16)
InChIKeyDPLJLFGQRSWVPV-UHFFFAOYSA-N
XLogP-1.13
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718434
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718330
5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718375
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717902
5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
CID 168716757
5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718294
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717155
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718297
5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride
CID 168715104
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide (CID 168718437) is 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(Cc2cnccn2)C1.
What is the InChIKey of 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide?
The InChIKey is DPLJLFGQRSWVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c10-17(15,16)8-3-9(14)13(6-8)5-7-4-11-1-2-12-7/h1-2,4,8H,3,5-6H2,(H2,10,15,16).
What are the key properties of 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide?
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).