3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide

C11H12O2S — CID 43841874

IUPAC3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCc1cccc(C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C11H12O2S/c1-9-3-2-4-10(7-9)11-5-6-14(12,13)8-11/h2-7,11H,8H2,1H3
InChIKeyDPSKAMWPADWPEW-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.02
Rot. Bonds1

About 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide

3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 43841874) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID43841874
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCc1cccc(C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C11H12O2S/c1-9-3-2-4-10(7-9)11-5-6-14(12,13)8-11/h2-7,11H,8H2,1H3
InChIKeyDPSKAMWPADWPEW-UHFFFAOYSA-N
XLogP2.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide 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

3-(3,5-dimethylphenyl)-2,3-dihydrothiophene 1,1-dioxide
CID 43841876
3-(2,5-dimethylphenyl)-2,3-dihydrothiophene 1,1-dioxide
CID 43841897
N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2830164
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)nitrous amide
CID 21206467
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-(3-methylphenyl)propanamide
CID 27396518
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-(3-methylphenyl)propanamide
CID 27396519
5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 67121804
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluoro-N-(3-methylphenyl)benzamide
CID 9196286
1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
CID 102579240
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(2-ethylphenyl)-3-methylbenzamide
CID 40642877
2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one
CID 81416308
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide (CID 43841874) is 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide is Cc1cccc(C2C=CS(=O)(=O)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is DPSKAMWPADWPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-9-3-2-4-10(7-9)11-5-6-14(12,13)8-11/h2-7,11H,8H2,1H3.
What are the key properties of 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 208.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 43841874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).