2-sulfanylazetidine-1-sulfonamide

C3H8N2O2S2 — CID 141311170

IUPAC2-sulfanylazetidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC1S
InChIInChI=1S/C3H8N2O2S2/c4-9(6,7)5-2-1-3(5)8/h3,8H,1-2H2,(H2,4,6,7)
InChIKeyQOJCMBGOFYLKGG-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.85
Rot. Bonds1

About 2-sulfanylazetidine-1-sulfonamide

2-sulfanylazetidine-1-sulfonamide (PubChem CID 141311170) has the molecular formula C3H8N2O2S2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-sulfanylazetidine-1-sulfonamide.

Molecular Properties

Compound Name2-sulfanylazetidine-1-sulfonamide
PubChem CID141311170
Molecular FormulaC3H8N2O2S2
Molecular Weight168.24 g/mol
Exact Mass168.00
IUPAC Name2-sulfanylazetidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC1S
InChIInChI=1S/C3H8N2O2S2/c4-9(6,7)5-2-1-3(5)8/h3,8H,1-2H2,(H2,4,6,7)
InChIKeyQOJCMBGOFYLKGG-UHFFFAOYSA-N
XLogP-0.85
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylazetidine-1-sulfonamide?
The IUPAC name of 2-sulfanylazetidine-1-sulfonamide (CID 141311170) is 2-sulfanylazetidine-1-sulfonamide.
What is the SMILES notation for 2-sulfanylazetidine-1-sulfonamide?
The canonical SMILES for 2-sulfanylazetidine-1-sulfonamide is NS(=O)(=O)N1CCC1S.
What is the InChIKey of 2-sulfanylazetidine-1-sulfonamide?
The InChIKey is QOJCMBGOFYLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S2/c4-9(6,7)5-2-1-3(5)8/h3,8H,1-2H2,(H2,4,6,7).
What are the key properties of 2-sulfanylazetidine-1-sulfonamide?
2-sulfanylazetidine-1-sulfonamide has a molecular weight of 168.24 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylazetidine-1-sulfonamide is sourced from PubChem (CID 141311170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).