3-oxopiperazine-1-sulfonamide

C4H9N3O3S — CID 43132045

IUPAC3-oxopiperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C4H9N3O3S/c5-11(9,10)7-2-1-6-4(8)3-7/h1-3H2,(H,6,8)(H2,5,9,10)
InChIKeyONBCOARFCGLSKQ-UHFFFAOYSA-N
MW179.20 g/mol
LogP-2.38
Rot. Bonds1

About 3-oxopiperazine-1-sulfonamide

3-oxopiperazine-1-sulfonamide (PubChem CID 43132045) has the molecular formula C4H9N3O3S and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-oxopiperazine-1-sulfonamide.

Molecular Properties

Compound Name3-oxopiperazine-1-sulfonamide
PubChem CID43132045
Molecular FormulaC4H9N3O3S
Molecular Weight179.20 g/mol
Exact Mass179.04
IUPAC Name3-oxopiperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C4H9N3O3S/c5-11(9,10)7-2-1-6-4(8)3-7/h1-3H2,(H,6,8)(H2,5,9,10)
InChIKeyONBCOARFCGLSKQ-UHFFFAOYSA-N
XLogP-2.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxopiperazine-1-sulfonamide?
The IUPAC name of 3-oxopiperazine-1-sulfonamide (CID 43132045) is 3-oxopiperazine-1-sulfonamide.
What is the SMILES notation for 3-oxopiperazine-1-sulfonamide?
The canonical SMILES for 3-oxopiperazine-1-sulfonamide is NS(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 3-oxopiperazine-1-sulfonamide?
The InChIKey is ONBCOARFCGLSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3S/c5-11(9,10)7-2-1-6-4(8)3-7/h1-3H2,(H,6,8)(H2,5,9,10).
What are the key properties of 3-oxopiperazine-1-sulfonamide?
3-oxopiperazine-1-sulfonamide has a molecular weight of 179.20 g/mol, XLogP of -2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopiperazine-1-sulfonamide is sourced from PubChem (CID 43132045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).