N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide

C10H15NO2S2 — CID 152606349

IUPACN-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide
SMILESCCSc1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C10H15NO2S2/c1-4-14-10-8-6-5-7-9(10)11(2)15(3,12)13/h5-8H,4H2,1-3H3
InChIKeyYYPCPBPLBZPQDA-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.19
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide

N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide (PubChem CID 152606349) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide
PubChem CID152606349
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide
SMILESCCSc1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C10H15NO2S2/c1-4-14-10-8-6-5-7-9(10)11(2)15(3,12)13/h5-8H,4H2,1-3H3
InChIKeyYYPCPBPLBZPQDA-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide (CID 152606349) is N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide is CCSc1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide?
The InChIKey is YYPCPBPLBZPQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-4-14-10-8-6-5-7-9(10)11(2)15(3,12)13/h5-8H,4H2,1-3H3.
What are the key properties of N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide?
N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide has a molecular weight of 245.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 152606349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).