3-cyano-N-ethylazetidine-1-sulfonamide

C6H11N3O2S — CID 130636761

IUPAC3-cyano-N-ethylazetidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC(C#N)C1
InChIInChI=1S/C6H11N3O2S/c1-2-8-12(10,11)9-4-6(3-7)5-9/h6,8H,2,4-5H2,1H3
InChIKeyMFPXCWBLPAWIMI-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.70
Rot. Bonds3

About 3-cyano-N-ethylazetidine-1-sulfonamide

3-cyano-N-ethylazetidine-1-sulfonamide (PubChem CID 130636761) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-cyano-N-ethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-cyano-N-ethylazetidine-1-sulfonamide
PubChem CID130636761
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name3-cyano-N-ethylazetidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC(C#N)C1
InChIInChI=1S/C6H11N3O2S/c1-2-8-12(10,11)9-4-6(3-7)5-9/h6,8H,2,4-5H2,1H3
InChIKeyMFPXCWBLPAWIMI-UHFFFAOYSA-N
XLogP-0.70
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethylazetidine-1-sulfonamide?
The IUPAC name of 3-cyano-N-ethylazetidine-1-sulfonamide (CID 130636761) is 3-cyano-N-ethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-cyano-N-ethylazetidine-1-sulfonamide?
The canonical SMILES for 3-cyano-N-ethylazetidine-1-sulfonamide is CCNS(=O)(=O)N1CC(C#N)C1.
What is the InChIKey of 3-cyano-N-ethylazetidine-1-sulfonamide?
The InChIKey is MFPXCWBLPAWIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-2-8-12(10,11)9-4-6(3-7)5-9/h6,8H,2,4-5H2,1H3.
What are the key properties of 3-cyano-N-ethylazetidine-1-sulfonamide?
3-cyano-N-ethylazetidine-1-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethylazetidine-1-sulfonamide is sourced from PubChem (CID 130636761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).