N-ethylazetidine-1-sulfonamide

C5H12N2O2S — CID 89177199

IUPACN-ethylazetidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC1
InChIInChI=1S/C5H12N2O2S/c1-2-6-10(8,9)7-4-3-5-7/h6H,2-5H2,1H3
InChIKeyKCFGRDYOPZEZFT-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.45
Rot. Bonds3

About N-ethylazetidine-1-sulfonamide

N-ethylazetidine-1-sulfonamide (PubChem CID 89177199) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-ethylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethylazetidine-1-sulfonamide
PubChem CID89177199
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC NameN-ethylazetidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC1
InChIInChI=1S/C5H12N2O2S/c1-2-6-10(8,9)7-4-3-5-7/h6H,2-5H2,1H3
InChIKeyKCFGRDYOPZEZFT-UHFFFAOYSA-N
XLogP-0.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethylazetidine-1-sulfonamide?
The IUPAC name of N-ethylazetidine-1-sulfonamide (CID 89177199) is N-ethylazetidine-1-sulfonamide.
What is the SMILES notation for N-ethylazetidine-1-sulfonamide?
The canonical SMILES for N-ethylazetidine-1-sulfonamide is CCNS(=O)(=O)N1CCC1.
What is the InChIKey of N-ethylazetidine-1-sulfonamide?
The InChIKey is KCFGRDYOPZEZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-6-10(8,9)7-4-3-5-7/h6H,2-5H2,1H3.
What are the key properties of N-ethylazetidine-1-sulfonamide?
N-ethylazetidine-1-sulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylazetidine-1-sulfonamide is sourced from PubChem (CID 89177199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).