N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide

C11H15NO3S — CID 117355627

IUPACN-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide
SMILESCN(c1ccc(CCC=O)cc1)S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-12(16(2,14)15)11-7-5-10(6-8-11)4-3-9-13/h5-9H,3-4H2,1-2H3
InChIKeyQGJNTBQMWNDYIF-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.21
Rot. Bonds5

About N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide

N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide (PubChem CID 117355627) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide
PubChem CID117355627
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide
SMILESCN(c1ccc(CCC=O)cc1)S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-12(16(2,14)15)11-7-5-10(6-8-11)4-3-9-13/h5-9H,3-4H2,1-2H3
InChIKeyQGJNTBQMWNDYIF-UHFFFAOYSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide (CID 117355627) is N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide is CN(c1ccc(CCC=O)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide?
The InChIKey is QGJNTBQMWNDYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-12(16(2,14)15)11-7-5-10(6-8-11)4-3-9-13/h5-9H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide?
N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide is sourced from PubChem (CID 117355627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).