N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide

C10H15NO2S2 — CID 2267413

IUPACN-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide
SMILESCc1ccc(SCCNS(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S2/c1-9-3-5-10(6-4-9)14-8-7-11-15(2,12)13/h3-6,11H,7-8H2,1-2H3
InChIKeyUAQTUXUQFSJGKZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide

N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide (PubChem CID 2267413) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide
PubChem CID2267413
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide
SMILESCc1ccc(SCCNS(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S2/c1-9-3-5-10(6-4-9)14-8-7-11-15(2,12)13/h3-6,11H,7-8H2,1-2H3
InChIKeyUAQTUXUQFSJGKZ-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.64
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-(4-methylphenyl)sulfanylethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide (CID 2267413) is N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide is Cc1ccc(SCCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide?
The InChIKey is UAQTUXUQFSJGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-9-3-5-10(6-4-9)14-8-7-11-15(2,12)13/h3-6,11H,7-8H2,1-2H3.
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide?
N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide has a molecular weight of 245.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]methanesulfonamide is sourced from PubChem (CID 2267413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).