N-cyclopropyl-3-oxopiperazine-1-sulfonamide

C7H13N3O3S — CID 104538398

IUPACN-cyclopropyl-3-oxopiperazine-1-sulfonamide
SMILESO=C1CN(S(=O)(=O)NC2CC2)CCN1
InChIInChI=1S/C7H13N3O3S/c11-7-5-10(4-3-8-7)14(12,13)9-6-1-2-6/h6,9H,1-5H2,(H,8,11)
InChIKeyYEAMDLCRMQIBSO-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.59
Rot. Bonds3

About N-cyclopropyl-3-oxopiperazine-1-sulfonamide

N-cyclopropyl-3-oxopiperazine-1-sulfonamide (PubChem CID 104538398) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-cyclopropyl-3-oxopiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-oxopiperazine-1-sulfonamide
PubChem CID104538398
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-cyclopropyl-3-oxopiperazine-1-sulfonamide
SMILESO=C1CN(S(=O)(=O)NC2CC2)CCN1
InChIInChI=1S/C7H13N3O3S/c11-7-5-10(4-3-8-7)14(12,13)9-6-1-2-6/h6,9H,1-5H2,(H,8,11)
InChIKeyYEAMDLCRMQIBSO-UHFFFAOYSA-N
XLogP-1.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-3-oxopiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-oxopiperazine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-oxopiperazine-1-sulfonamide (CID 104538398) is N-cyclopropyl-3-oxopiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-oxopiperazine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-oxopiperazine-1-sulfonamide is O=C1CN(S(=O)(=O)NC2CC2)CCN1.
What is the InChIKey of N-cyclopropyl-3-oxopiperazine-1-sulfonamide?
The InChIKey is YEAMDLCRMQIBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c11-7-5-10(4-3-8-7)14(12,13)9-6-1-2-6/h6,9H,1-5H2,(H,8,11).
What are the key properties of N-cyclopropyl-3-oxopiperazine-1-sulfonamide?
N-cyclopropyl-3-oxopiperazine-1-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-oxopiperazine-1-sulfonamide is sourced from PubChem (CID 104538398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).