(2-propan-2-ylphenyl) sulfamate

C9H13NO3S — CID 23161118

IUPAC(2-propan-2-ylphenyl) sulfamate
SMILESCC(C)c1ccccc1OS(N)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-7(2)8-5-3-4-6-9(8)13-14(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
InChIKeyOGAUXGQLRXYROS-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.39
Rot. Bonds3

About (2-propan-2-ylphenyl) sulfamate

(2-propan-2-ylphenyl) sulfamate (PubChem CID 23161118) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) sulfamate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) sulfamate
PubChem CID23161118
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(2-propan-2-ylphenyl) sulfamate
SMILESCC(C)c1ccccc1OS(N)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-7(2)8-5-3-4-6-9(8)13-14(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
InChIKeyOGAUXGQLRXYROS-UHFFFAOYSA-N
XLogP1.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-propan-2-ylphenyl) sulfamate 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 (2-propan-2-ylphenyl) sulfamate?
The IUPAC name of (2-propan-2-ylphenyl) sulfamate (CID 23161118) is (2-propan-2-ylphenyl) sulfamate.
What is the SMILES notation for (2-propan-2-ylphenyl) sulfamate?
The canonical SMILES for (2-propan-2-ylphenyl) sulfamate is CC(C)c1ccccc1OS(N)(=O)=O.
What is the InChIKey of (2-propan-2-ylphenyl) sulfamate?
The InChIKey is OGAUXGQLRXYROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7(2)8-5-3-4-6-9(8)13-14(10,11)12/h3-7H,1-2H3,(H2,10,11,12).
What are the key properties of (2-propan-2-ylphenyl) sulfamate?
(2-propan-2-ylphenyl) sulfamate has a molecular weight of 215.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) sulfamate is sourced from PubChem (CID 23161118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).