1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide

C7H16N2O3S — CID 137380113

IUPAC1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide
SMILESCC(C)(O)CN1CC(S(N)(=O)=O)C1
InChIInChI=1S/C7H16N2O3S/c1-7(2,10)5-9-3-6(4-9)13(8,11)12/h6,10H,3-5H2,1-2H3,(H2,8,11,12)
InChIKeyCEKRCWCORJNJDW-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.27
Rot. Bonds3

About 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide

1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide (PubChem CID 137380113) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide
PubChem CID137380113
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide
SMILESCC(C)(O)CN1CC(S(N)(=O)=O)C1
InChIInChI=1S/C7H16N2O3S/c1-7(2,10)5-9-3-6(4-9)13(8,11)12/h6,10H,3-5H2,1-2H3,(H2,8,11,12)
InChIKeyCEKRCWCORJNJDW-UHFFFAOYSA-N
XLogP-1.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide (CID 137380113) is 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide is CC(C)(O)CN1CC(S(N)(=O)=O)C1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide?
The InChIKey is CEKRCWCORJNJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-7(2,10)5-9-3-6(4-9)13(8,11)12/h6,10H,3-5H2,1-2H3,(H2,8,11,12).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide?
1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)azetidine-3-sulfonamide is sourced from PubChem (CID 137380113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).