1-phenoxy-N-propylmethanesulfonamide

C10H15NO3S — CID 67759583

IUPAC1-phenoxy-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)COc1ccccc1
InChIInChI=1S/C10H15NO3S/c1-2-8-11-15(12,13)9-14-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeySMOYMXXXJSOSKI-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.35
Rot. Bonds6

About 1-phenoxy-N-propylmethanesulfonamide

1-phenoxy-N-propylmethanesulfonamide (PubChem CID 67759583) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-phenoxy-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-phenoxy-N-propylmethanesulfonamide
PubChem CID67759583
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name1-phenoxy-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)COc1ccccc1
InChIInChI=1S/C10H15NO3S/c1-2-8-11-15(12,13)9-14-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeySMOYMXXXJSOSKI-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenoxy-N-propylmethanesulfonamide 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 1-phenoxy-N-propylmethanesulfonamide?
The IUPAC name of 1-phenoxy-N-propylmethanesulfonamide (CID 67759583) is 1-phenoxy-N-propylmethanesulfonamide.
What is the SMILES notation for 1-phenoxy-N-propylmethanesulfonamide?
The canonical SMILES for 1-phenoxy-N-propylmethanesulfonamide is CCCNS(=O)(=O)COc1ccccc1.
What is the InChIKey of 1-phenoxy-N-propylmethanesulfonamide?
The InChIKey is SMOYMXXXJSOSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-2-8-11-15(12,13)9-14-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 1-phenoxy-N-propylmethanesulfonamide?
1-phenoxy-N-propylmethanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-N-propylmethanesulfonamide is sourced from PubChem (CID 67759583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).