[2-(2-methylpropyl)phenyl] sulfamate

C10H15NO3S — CID 24761700

IUPAC[2-(2-methylpropyl)phenyl] sulfamate
SMILESCC(C)Cc1ccccc1OS(N)(=O)=O
InChIInChI=1S/C10H15NO3S/c1-8(2)7-9-5-3-4-6-10(9)14-15(11,12)13/h3-6,8H,7H2,1-2H3,(H2,11,12,13)
InChIKeyXIUKAKUXNSHLFQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.47
Rot. Bonds4

About [2-(2-methylpropyl)phenyl] sulfamate

[2-(2-methylpropyl)phenyl] sulfamate (PubChem CID 24761700) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is [2-(2-methylpropyl)phenyl] sulfamate.

Molecular Properties

Compound Name[2-(2-methylpropyl)phenyl] sulfamate
PubChem CID24761700
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name[2-(2-methylpropyl)phenyl] sulfamate
SMILESCC(C)Cc1ccccc1OS(N)(=O)=O
InChIInChI=1S/C10H15NO3S/c1-8(2)7-9-5-3-4-6-10(9)14-15(11,12)13/h3-6,8H,7H2,1-2H3,(H2,11,12,13)
InChIKeyXIUKAKUXNSHLFQ-UHFFFAOYSA-N
XLogP1.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)phenyl] sulfamate?
The IUPAC name of [2-(2-methylpropyl)phenyl] sulfamate (CID 24761700) is [2-(2-methylpropyl)phenyl] sulfamate.
What is the SMILES notation for [2-(2-methylpropyl)phenyl] sulfamate?
The canonical SMILES for [2-(2-methylpropyl)phenyl] sulfamate is CC(C)Cc1ccccc1OS(N)(=O)=O.
What is the InChIKey of [2-(2-methylpropyl)phenyl] sulfamate?
The InChIKey is XIUKAKUXNSHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8(2)7-9-5-3-4-6-10(9)14-15(11,12)13/h3-6,8H,7H2,1-2H3,(H2,11,12,13).
What are the key properties of [2-(2-methylpropyl)phenyl] sulfamate?
[2-(2-methylpropyl)phenyl] sulfamate has a molecular weight of 229.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)phenyl] sulfamate is sourced from PubChem (CID 24761700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).