2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

C10H12O2S — CID 44719299

IUPAC2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESCCC1Cc2ccccc2S1(=O)=O
InChIInChI=1S/C10H12O2S/c1-2-9-7-8-5-3-4-6-10(8)13(9,11)12/h3-6,9H,2,7H2,1H3
InChIKeyQMFNZJFINDGBMT-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.79
Rot. Bonds1

About 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide (PubChem CID 44719299) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
PubChem CID44719299
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESCCC1Cc2ccccc2S1(=O)=O
InChIInChI=1S/C10H12O2S/c1-2-9-7-8-5-3-4-6-10(8)13(9,11)12/h3-6,9H,2,7H2,1H3
InChIKeyQMFNZJFINDGBMT-UHFFFAOYSA-N
XLogP1.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2,3-dihydro-1-benzothiophene 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

(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 43115268
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117198175
4-methyl-2,3,4,5-tetrahydro-1λ6-benzothiepine 1,1-dioxide
CID 143356879
(4S)-4-methyl-2,3,4,5-tetrahydro-1λ6,2-benzothiazepine 1,1-dioxide
CID 118170673
1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-4-amine;ethane
CID 142226253
(2R)-2-ethyl-1,1-dioxo-1-benzothiophen-3-one
CID 822395
(4R)-2-(4-fluorophenyl)-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-4-ol
CID 67590943
2-methyl-2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide
CID 83835045
(10S,11R)-11-methyl-2λ6-thia-1-azatricyclo[8.2.1.03,8]trideca-3,5,7-triene 2,2-dioxide
CID 134858524
1a,2,7,7a-tetrahydronaphtho[2,3-b]thiirene 1,1-dioxide
CID 71387872
3-ethyl-2,4-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide
CID 68700654
3-ethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 89150261

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The IUPAC name of 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide (CID 44719299) is 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide is CCC1Cc2ccccc2S1(=O)=O.
What is the InChIKey of 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The InChIKey is QMFNZJFINDGBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-2-9-7-8-5-3-4-6-10(8)13(9,11)12/h3-6,9H,2,7H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide has a molecular weight of 196.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 44719299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).