5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide

C7H9N5O3S — CID 168719634

IUPAC5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncncn2)C1
InChIInChI=1S/C7H9N5O3S/c8-16(14,15)5-1-6(13)12(2-5)7-10-3-9-4-11-7/h3-5H,1-2H2,(H2,8,14,15)
InChIKeyFVQHHFHJXNWTGO-UHFFFAOYSA-N
MW243.25 g/mol
LogP-1.73
Rot. Bonds2

About 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide

5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide (PubChem CID 168719634) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
PubChem CID168719634
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC Name5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncncn2)C1
InChIInChI=1S/C7H9N5O3S/c8-16(14,15)5-1-6(13)12(2-5)7-10-3-9-4-11-7/h3-5H,1-2H2,(H2,8,14,15)
InChIKeyFVQHHFHJXNWTGO-UHFFFAOYSA-N
XLogP-1.73
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717516
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719599
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide
CID 168719652

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide (CID 168719634) is 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ncncn2)C1.
What is the InChIKey of 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide?
The InChIKey is FVQHHFHJXNWTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c8-16(14,15)5-1-6(13)12(2-5)7-10-3-9-4-11-7/h3-5H,1-2H2,(H2,8,14,15).
What are the key properties of 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide?
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide has a molecular weight of 243.25 g/mol, XLogP of -1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).