3-hydroxyazetidine-1-sulfonamide

C3H8N2O3S — CID 70348069

IUPAC3-hydroxyazetidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C3H8N2O3S/c4-9(7,8)5-1-3(6)2-5/h3,6H,1-2H2,(H2,4,7,8)
InChIKeyMSVCJBGSAXGLGY-UHFFFAOYSA-N
MW152.17 g/mol
LogP-2.13
Rot. Bonds1

About 3-hydroxyazetidine-1-sulfonamide

3-hydroxyazetidine-1-sulfonamide (PubChem CID 70348069) has the molecular formula C3H8N2O3S and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-hydroxyazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxyazetidine-1-sulfonamide
PubChem CID70348069
Molecular FormulaC3H8N2O3S
Molecular Weight152.17 g/mol
Exact Mass152.03
IUPAC Name3-hydroxyazetidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C3H8N2O3S/c4-9(7,8)5-1-3(6)2-5/h3,6H,1-2H2,(H2,4,7,8)
InChIKeyMSVCJBGSAXGLGY-UHFFFAOYSA-N
XLogP-2.13
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyazetidine-1-sulfonamide?
The IUPAC name of 3-hydroxyazetidine-1-sulfonamide (CID 70348069) is 3-hydroxyazetidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxyazetidine-1-sulfonamide?
The canonical SMILES for 3-hydroxyazetidine-1-sulfonamide is NS(=O)(=O)N1CC(O)C1.
What is the InChIKey of 3-hydroxyazetidine-1-sulfonamide?
The InChIKey is MSVCJBGSAXGLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3S/c4-9(7,8)5-1-3(6)2-5/h3,6H,1-2H2,(H2,4,7,8).
What are the key properties of 3-hydroxyazetidine-1-sulfonamide?
3-hydroxyazetidine-1-sulfonamide has a molecular weight of 152.17 g/mol, XLogP of -2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyazetidine-1-sulfonamide is sourced from PubChem (CID 70348069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).