1-ethylazetidine-3-sulfonamide

C5H12N2O2S — CID 137380009

IUPAC1-ethylazetidine-3-sulfonamide
SMILESCCN1CC(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c1-2-7-3-5(4-7)10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)
InChIKeyDYSPHJQJQWBFIT-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.02
Rot. Bonds2

About 1-ethylazetidine-3-sulfonamide

1-ethylazetidine-3-sulfonamide (PubChem CID 137380009) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-ethylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-ethylazetidine-3-sulfonamide
PubChem CID137380009
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name1-ethylazetidine-3-sulfonamide
SMILESCCN1CC(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c1-2-7-3-5(4-7)10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)
InChIKeyDYSPHJQJQWBFIT-UHFFFAOYSA-N
XLogP-1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylazetidine-3-sulfonamide?
The IUPAC name of 1-ethylazetidine-3-sulfonamide (CID 137380009) is 1-ethylazetidine-3-sulfonamide.
What is the SMILES notation for 1-ethylazetidine-3-sulfonamide?
The canonical SMILES for 1-ethylazetidine-3-sulfonamide is CCN1CC(S(N)(=O)=O)C1.
What is the InChIKey of 1-ethylazetidine-3-sulfonamide?
The InChIKey is DYSPHJQJQWBFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-7-3-5(4-7)10(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9).
What are the key properties of 1-ethylazetidine-3-sulfonamide?
1-ethylazetidine-3-sulfonamide has a molecular weight of 164.23 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylazetidine-3-sulfonamide is sourced from PubChem (CID 137380009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).