N-cyano-N-ethylmethanesulfonamide

C4H8N2O2S — CID 22259908

IUPACN-cyano-N-ethylmethanesulfonamide
SMILESCCN(C#N)S(C)(=O)=O
InChIInChI=1S/C4H8N2O2S/c1-3-6(4-5)9(2,7)8/h3H2,1-2H3
InChIKeyFQKWRPYFVXTQBX-UHFFFAOYSA-N
MW148.19 g/mol
LogP-0.25
Rot. Bonds2

About N-cyano-N-ethylmethanesulfonamide

N-cyano-N-ethylmethanesulfonamide (PubChem CID 22259908) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is N-cyano-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-cyano-N-ethylmethanesulfonamide
PubChem CID22259908
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC NameN-cyano-N-ethylmethanesulfonamide
SMILESCCN(C#N)S(C)(=O)=O
InChIInChI=1S/C4H8N2O2S/c1-3-6(4-5)9(2,7)8/h3H2,1-2H3
InChIKeyFQKWRPYFVXTQBX-UHFFFAOYSA-N
XLogP-0.25
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-N-ethylmethanesulfonamide 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-cyano-N-ethylmethanesulfonamide?
The IUPAC name of N-cyano-N-ethylmethanesulfonamide (CID 22259908) is N-cyano-N-ethylmethanesulfonamide.
What is the SMILES notation for N-cyano-N-ethylmethanesulfonamide?
The canonical SMILES for N-cyano-N-ethylmethanesulfonamide is CCN(C#N)S(C)(=O)=O.
What is the InChIKey of N-cyano-N-ethylmethanesulfonamide?
The InChIKey is FQKWRPYFVXTQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-3-6(4-5)9(2,7)8/h3H2,1-2H3.
What are the key properties of N-cyano-N-ethylmethanesulfonamide?
N-cyano-N-ethylmethanesulfonamide has a molecular weight of 148.19 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-ethylmethanesulfonamide is sourced from PubChem (CID 22259908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).