3-hydroxy-N,N-dimethylazetidine-1-sulfonamide

C5H12N2O3S — CID 63106800

IUPAC3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C5H12N2O3S/c1-6(2)11(9,10)7-3-5(8)4-7/h5,8H,3-4H2,1-2H3
InChIKeySQLXGFKPMAYJCZ-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.53
Rot. Bonds2

About 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide

3-hydroxy-N,N-dimethylazetidine-1-sulfonamide (PubChem CID 63106800) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
PubChem CID63106800
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C5H12N2O3S/c1-6(2)11(9,10)7-3-5(8)4-7/h5,8H,3-4H2,1-2H3
InChIKeySQLXGFKPMAYJCZ-UHFFFAOYSA-N
XLogP-1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide (CID 63106800) is 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(O)C1.
What is the InChIKey of 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide?
The InChIKey is SQLXGFKPMAYJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-6(2)11(9,10)7-3-5(8)4-7/h5,8H,3-4H2,1-2H3.
What are the key properties of 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide?
3-hydroxy-N,N-dimethylazetidine-1-sulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 63106800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).