6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one

C10H11NO2S — CID 126621176

IUPAC6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one
SMILESCSC(C)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H11NO2S/c1-6(14-2)7-3-4-8-9(5-7)13-10(12)11-8/h3-6H,1-2H3,(H,11,12)
InChIKeyAFSJUPRNHHWBHB-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.55
Rot. Bonds2

About 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one

6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one (PubChem CID 126621176) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one
PubChem CID126621176
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one
SMILESCSC(C)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H11NO2S/c1-6(14-2)7-3-4-8-9(5-7)13-10(12)11-8/h3-6H,1-2H3,(H,11,12)
InChIKeyAFSJUPRNHHWBHB-UHFFFAOYSA-N
XLogP2.55
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
6-[bromo-(4-methylsulfanylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 79206387
6-[1-(methylamino)-2-methylsulfanylethyl]-3H-1,3-benzoxazol-2-one
CID 116830424
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
6-methylsulfanyl-3H-1,3-benzoxazol-2-one
CID 130992219
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511
6-(1-amino-3-methylbutan-2-yl)-3H-1,3-benzoxazol-2-one
CID 82494013
6-(1-chloro-3-methylbutyl)-3H-1,3-benzoxazol-2-one
CID 61086442
6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
6-[bromo-(3,5-dimethylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61096755

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one (CID 126621176) is 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one is CSC(C)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is AFSJUPRNHHWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-6(14-2)7-3-4-8-9(5-7)13-10(12)11-8/h3-6H,1-2H3,(H,11,12).
What are the key properties of 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one?
6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 209.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 126621176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).