(4-tert-butylphenyl) sulfamate

C10H15NO3S — CID 10868086

IUPAC(4-tert-butylphenyl) sulfamate
SMILESCC(C)(C)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyJSGFVHXKEVDABH-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.57
Rot. Bonds2

About (4-tert-butylphenyl) sulfamate

(4-tert-butylphenyl) sulfamate (PubChem CID 10868086) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is (4-tert-butylphenyl) sulfamate.

Molecular Properties

Compound Name(4-tert-butylphenyl) sulfamate
PubChem CID10868086
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name(4-tert-butylphenyl) sulfamate
SMILESCC(C)(C)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyJSGFVHXKEVDABH-UHFFFAOYSA-N
XLogP1.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-tert-butylphenyl) 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 (4-tert-butylphenyl) sulfamate?
The IUPAC name of (4-tert-butylphenyl) sulfamate (CID 10868086) is (4-tert-butylphenyl) sulfamate.
What is the SMILES notation for (4-tert-butylphenyl) sulfamate?
The canonical SMILES for (4-tert-butylphenyl) sulfamate is CC(C)(C)c1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of (4-tert-butylphenyl) sulfamate?
The InChIKey is JSGFVHXKEVDABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13/h4-7H,1-3H3,(H2,11,12,13).
What are the key properties of (4-tert-butylphenyl) sulfamate?
(4-tert-butylphenyl) sulfamate has a molecular weight of 229.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) sulfamate is sourced from PubChem (CID 10868086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).