N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide

C11H17NO3S — CID 47454360

IUPACN-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide
SMILESCc1ccc(OCC(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO3S/c1-9-4-6-11(7-5-9)15-8-10(2)12-16(3,13)14/h4-7,10,12H,8H2,1-3H3
InChIKeyCPHXXGYZNLDBFM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.31
Rot. Bonds5

About N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide

N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide (PubChem CID 47454360) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide
PubChem CID47454360
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide
SMILESCc1ccc(OCC(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO3S/c1-9-4-6-11(7-5-9)15-8-10(2)12-16(3,13)14/h4-7,10,12H,8H2,1-3H3
InChIKeyCPHXXGYZNLDBFM-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide 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 N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide (CID 47454360) is N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide is Cc1ccc(OCC(C)NS(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide?
The InChIKey is CPHXXGYZNLDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-4-6-11(7-5-9)15-8-10(2)12-16(3,13)14/h4-7,10,12H,8H2,1-3H3.
What are the key properties of N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide?
N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenoxy)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 47454360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).