5-phenylpentyl sulfamate

C11H17NO3S — CID 19108665

IUPAC5-phenylpentyl sulfamate
SMILESNS(=O)(=O)OCCCCCc1ccccc1
InChIInChI=1S/C11H17NO3S/c12-16(13,14)15-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,12,13,14)
InChIKeyRHYDNIOXINWJBU-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.62
Rot. Bonds7

About 5-phenylpentyl sulfamate

5-phenylpentyl sulfamate (PubChem CID 19108665) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-phenylpentyl sulfamate.

Molecular Properties

Compound Name5-phenylpentyl sulfamate
PubChem CID19108665
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name5-phenylpentyl sulfamate
SMILESNS(=O)(=O)OCCCCCc1ccccc1
InChIInChI=1S/C11H17NO3S/c12-16(13,14)15-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,12,13,14)
InChIKeyRHYDNIOXINWJBU-UHFFFAOYSA-N
XLogP1.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl sulfamate?
The IUPAC name of 5-phenylpentyl sulfamate (CID 19108665) is 5-phenylpentyl sulfamate.
What is the SMILES notation for 5-phenylpentyl sulfamate?
The canonical SMILES for 5-phenylpentyl sulfamate is NS(=O)(=O)OCCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentyl sulfamate?
The InChIKey is RHYDNIOXINWJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c12-16(13,14)15-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,12,13,14).
What are the key properties of 5-phenylpentyl sulfamate?
5-phenylpentyl sulfamate has a molecular weight of 243.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl sulfamate is sourced from PubChem (CID 19108665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).