3-phenylbutyl sulfamate

C10H15NO3S — CID 24761742

IUPAC3-phenylbutyl sulfamate
SMILESCC(CCOS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,11,12,13)
InChIKeyPRTPCHBPEDOZDF-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.40
Rot. Bonds5

About 3-phenylbutyl sulfamate

3-phenylbutyl sulfamate (PubChem CID 24761742) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-phenylbutyl sulfamate.

Molecular Properties

Compound Name3-phenylbutyl sulfamate
PubChem CID24761742
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-phenylbutyl sulfamate
SMILESCC(CCOS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,11,12,13)
InChIKeyPRTPCHBPEDOZDF-UHFFFAOYSA-N
XLogP1.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbutyl sulfamate?
The IUPAC name of 3-phenylbutyl sulfamate (CID 24761742) is 3-phenylbutyl sulfamate.
What is the SMILES notation for 3-phenylbutyl sulfamate?
The canonical SMILES for 3-phenylbutyl sulfamate is CC(CCOS(N)(=O)=O)c1ccccc1.
What is the InChIKey of 3-phenylbutyl sulfamate?
The InChIKey is PRTPCHBPEDOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,11,12,13).
What are the key properties of 3-phenylbutyl sulfamate?
3-phenylbutyl sulfamate has a molecular weight of 229.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbutyl sulfamate is sourced from PubChem (CID 24761742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).