[4-methoxy-2-(2-methylpropyl)phenyl] sulfamate

C11H17NO4S — CID 24761690

IUPAC[4-methoxy-2-(2-methylpropyl)phenyl] sulfamate
SMILESCOc1ccc(OS(N)(=O)=O)c(CC(C)C)c1
InChIInChI=1S/C11H17NO4S/c1-8(2)6-9-7-10(15-3)4-5-11(9)16-17(12,13)14/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14)
InChIKeyRKKHDOJSWYCQTP-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.48
Rot. Bonds5

About [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate

[4-methoxy-2-(2-methylpropyl)phenyl] sulfamate (PubChem CID 24761690) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate.

Molecular Properties

Compound Name[4-methoxy-2-(2-methylpropyl)phenyl] sulfamate
PubChem CID24761690
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name[4-methoxy-2-(2-methylpropyl)phenyl] sulfamate
SMILESCOc1ccc(OS(N)(=O)=O)c(CC(C)C)c1
InChIInChI=1S/C11H17NO4S/c1-8(2)6-9-7-10(15-3)4-5-11(9)16-17(12,13)14/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14)
InChIKeyRKKHDOJSWYCQTP-UHFFFAOYSA-N
XLogP1.48
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate?
The IUPAC name of [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate (CID 24761690) is [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate.
What is the SMILES notation for [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate?
The canonical SMILES for [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate is COc1ccc(OS(N)(=O)=O)c(CC(C)C)c1.
What is the InChIKey of [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate?
The InChIKey is RKKHDOJSWYCQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8(2)6-9-7-10(15-3)4-5-11(9)16-17(12,13)14/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14).
What are the key properties of [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate?
[4-methoxy-2-(2-methylpropyl)phenyl] sulfamate has a molecular weight of 259.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(2-methylpropyl)phenyl] sulfamate is sourced from PubChem (CID 24761690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).