N-(2-oxoethyl)cyclopropanesulfinamide

C5H9NO2S — CID 170063074

IUPACN-(2-oxoethyl)cyclopropanesulfinamide
SMILESO=CCNS(=O)C1CC1
InChIInChI=1S/C5H9NO2S/c7-4-3-6-9(8)5-1-2-5/h4-6H,1-3H2
InChIKeyXDJNACSIFYWQER-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.40
Rot. Bonds4

About N-(2-oxoethyl)cyclopropanesulfinamide

N-(2-oxoethyl)cyclopropanesulfinamide (PubChem CID 170063074) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is N-(2-oxoethyl)cyclopropanesulfinamide.

Molecular Properties

Compound NameN-(2-oxoethyl)cyclopropanesulfinamide
PubChem CID170063074
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC NameN-(2-oxoethyl)cyclopropanesulfinamide
SMILESO=CCNS(=O)C1CC1
InChIInChI=1S/C5H9NO2S/c7-4-3-6-9(8)5-1-2-5/h4-6H,1-3H2
InChIKeyXDJNACSIFYWQER-UHFFFAOYSA-N
XLogP-0.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-oxoethyl)cyclopropanesulfinamide 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-(2-oxoethyl)cyclopropanesulfinamide?
The IUPAC name of N-(2-oxoethyl)cyclopropanesulfinamide (CID 170063074) is N-(2-oxoethyl)cyclopropanesulfinamide.
What is the SMILES notation for N-(2-oxoethyl)cyclopropanesulfinamide?
The canonical SMILES for N-(2-oxoethyl)cyclopropanesulfinamide is O=CCNS(=O)C1CC1.
What is the InChIKey of N-(2-oxoethyl)cyclopropanesulfinamide?
The InChIKey is XDJNACSIFYWQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-4-3-6-9(8)5-1-2-5/h4-6H,1-3H2.
What are the key properties of N-(2-oxoethyl)cyclopropanesulfinamide?
N-(2-oxoethyl)cyclopropanesulfinamide has a molecular weight of 147.20 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)cyclopropanesulfinamide is sourced from PubChem (CID 170063074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).