(3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid

C11H15NO2S — CID 151005139

IUPAC(3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid
SMILESCSc1c(N(C)C(=O)O)ccc(C)c1C
InChIInChI=1S/C11H15NO2S/c1-7-5-6-9(12(3)11(13)14)10(15-4)8(7)2/h5-6H,1-4H3,(H,13,14)
InChIKeyLUXSUTDCGQWMMX-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.14
Rot. Bonds2

About (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid

(3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid (PubChem CID 151005139) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid
PubChem CID151005139
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid
SMILESCSc1c(N(C)C(=O)O)ccc(C)c1C
InChIInChI=1S/C11H15NO2S/c1-7-5-6-9(12(3)11(13)14)10(15-4)8(7)2/h5-6H,1-4H3,(H,13,14)
InChIKeyLUXSUTDCGQWMMX-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid?
The IUPAC name of (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid (CID 151005139) is (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid.
What is the SMILES notation for (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid?
The canonical SMILES for (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid is CSc1c(N(C)C(=O)O)ccc(C)c1C.
What is the InChIKey of (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid?
The InChIKey is LUXSUTDCGQWMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-5-6-9(12(3)11(13)14)10(15-4)8(7)2/h5-6H,1-4H3,(H,13,14).
What are the key properties of (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid?
(3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid has a molecular weight of 225.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2-methylsulfanylphenyl)-methylcarbamic acid is sourced from PubChem (CID 151005139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).