ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate

C11H15NO2S — CID 173195288

IUPACethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
SMILESCCOC(=O)N(C)c1ccc(SC)cc1
InChIInChI=1S/C11H15NO2S/c1-4-14-11(13)12(2)9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3
InChIKeyRYYDJWCBDIAGBJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.00
Rot. Bonds3

About ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate

ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate (PubChem CID 173195288) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
PubChem CID173195288
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
SMILESCCOC(=O)N(C)c1ccc(SC)cc1
InChIInChI=1S/C11H15NO2S/c1-4-14-11(13)12(2)9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3
InChIKeyRYYDJWCBDIAGBJ-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate?
The IUPAC name of ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate (CID 173195288) is ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate is CCOC(=O)N(C)c1ccc(SC)cc1.
What is the InChIKey of ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate?
The InChIKey is RYYDJWCBDIAGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-14-11(13)12(2)9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3.
What are the key properties of ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate?
ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate has a molecular weight of 225.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate is sourced from PubChem (CID 173195288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).