N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide

C11H17NO3S — CID 30867117

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide
SMILESCc1cc(C)cc(OCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-9-6-10(2)8-11(7-9)15-5-4-12-16(3,13)14/h6-8,12H,4-5H2,1-3H3
InChIKeyUQLNOWPJRNAFSH-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide

N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide (PubChem CID 30867117) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide
PubChem CID30867117
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide
SMILESCc1cc(C)cc(OCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-9-6-10(2)8-11(7-9)15-5-4-12-16(3,13)14/h6-8,12H,4-5H2,1-3H3
InChIKeyUQLNOWPJRNAFSH-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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 N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide (CID 30867117) is N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide is Cc1cc(C)cc(OCCNS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide?
The InChIKey is UQLNOWPJRNAFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-6-10(2)8-11(7-9)15-5-4-12-16(3,13)14/h6-8,12H,4-5H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide?
N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 30867117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).