(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate

C11H15NO2S — CID 14054370

IUPAC(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate
SMILESCSc1ccc(OC(=O)N(C)C)cc1C
InChIInChI=1S/C11H15NO2S/c1-8-7-9(5-6-10(8)15-4)14-11(13)12(2)3/h5-7H,1-4H3
InChIKeyJJPPEJSVLZELHN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.78
Rot. Bonds2

About (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate

(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate (PubChem CID 14054370) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate
PubChem CID14054370
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate
SMILESCSc1ccc(OC(=O)N(C)C)cc1C
InChIInChI=1S/C11H15NO2S/c1-8-7-9(5-6-10(8)15-4)14-11(13)12(2)3/h5-7H,1-4H3
InChIKeyJJPPEJSVLZELHN-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate?
The IUPAC name of (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate (CID 14054370) is (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate?
The canonical SMILES for (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate is CSc1ccc(OC(=O)N(C)C)cc1C.
What is the InChIKey of (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate?
The InChIKey is JJPPEJSVLZELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-7-9(5-6-10(8)15-4)14-11(13)12(2)3/h5-7H,1-4H3.
What are the key properties of (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate?
(3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate has a molecular weight of 225.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-methylsulfanylphenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 14054370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).