(2,4,6-trimethylphenyl) sulfamate

C9H13NO3S — CID 23161078

IUPAC(2,4,6-trimethylphenyl) sulfamate
SMILESCc1cc(C)c(OS(N)(=O)=O)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)13-14(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyZDPLHRIUHBMUMZ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.19
Rot. Bonds2

About (2,4,6-trimethylphenyl) sulfamate

(2,4,6-trimethylphenyl) sulfamate (PubChem CID 23161078) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) sulfamate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) sulfamate
PubChem CID23161078
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(2,4,6-trimethylphenyl) sulfamate
SMILESCc1cc(C)c(OS(N)(=O)=O)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)13-14(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyZDPLHRIUHBMUMZ-UHFFFAOYSA-N
XLogP1.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4,6-trimethylphenyl) 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 (2,4,6-trimethylphenyl) sulfamate?
The IUPAC name of (2,4,6-trimethylphenyl) sulfamate (CID 23161078) is (2,4,6-trimethylphenyl) sulfamate.
What is the SMILES notation for (2,4,6-trimethylphenyl) sulfamate?
The canonical SMILES for (2,4,6-trimethylphenyl) sulfamate is Cc1cc(C)c(OS(N)(=O)=O)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl) sulfamate?
The InChIKey is ZDPLHRIUHBMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)13-14(10,11)12/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of (2,4,6-trimethylphenyl) sulfamate?
(2,4,6-trimethylphenyl) sulfamate has a molecular weight of 215.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) sulfamate is sourced from PubChem (CID 23161078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).