N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide

C12H19NO3S — CID 20661102

IUPACN-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide
SMILESCc1ccc(OCCCNS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H19NO3S/c1-10-5-6-12(11(2)9-10)16-8-4-7-13-17(3,14)15/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyMVAPWHLMKHIXMF-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.62
Rot. Bonds6

About N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide

N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide (PubChem CID 20661102) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide
PubChem CID20661102
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide
SMILESCc1ccc(OCCCNS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H19NO3S/c1-10-5-6-12(11(2)9-10)16-8-4-7-13-17(3,14)15/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyMVAPWHLMKHIXMF-UHFFFAOYSA-N
XLogP1.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
4-tert-butyl-N-[2-(2,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 113100923
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
2-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-5-methylsulfonylthiophene-3-sulfonamide
CID 154859485
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
CID 100558556
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
sodium 2-(2,4-dimethylphenoxy)ethyl sulfate
CID 22892677
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide (CID 20661102) is N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide is Cc1ccc(OCCCNS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide?
The InChIKey is MVAPWHLMKHIXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-10-5-6-12(11(2)9-10)16-8-4-7-13-17(3,14)15/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide?
N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide is sourced from PubChem (CID 20661102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).