(4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate

C12H17NO2S — CID 26606

IUPAC(4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(SC)c(C(C)C)c1
InChIInChI=1S/C12H17NO2S/c1-8(2)10-7-9(15-12(14)13-3)5-6-11(10)16-4/h5-8H,1-4H3,(H,13,14)
InChIKeyCOEYNUSLWGVZRD-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.25
Rot. Bonds3

About (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate

(4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate (PubChem CID 26606) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate
PubChem CID26606
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(SC)c(C(C)C)c1
InChIInChI=1S/C12H17NO2S/c1-8(2)10-7-9(15-12(14)13-3)5-6-11(10)16-4/h5-8H,1-4H3,(H,13,14)
InChIKeyCOEYNUSLWGVZRD-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate (CID 26606) is (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate is CNC(=O)Oc1ccc(SC)c(C(C)C)c1.
What is the InChIKey of (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate?
The InChIKey is COEYNUSLWGVZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8(2)10-7-9(15-12(14)13-3)5-6-11(10)16-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate?
(4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate has a molecular weight of 239.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 26606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).