5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene

C8H14O2S2 — CID 141469361

IUPAC5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene
SMILESCC1(CCS(C)(=O)=O)C=CCS1
InChIInChI=1S/C8H14O2S2/c1-8(4-3-6-11-8)5-7-12(2,9)10/h3-4H,5-7H2,1-2H3
InChIKeyIRPPLLDFXHKATJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.48
Rot. Bonds3

About 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene

5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene (PubChem CID 141469361) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene.

Molecular Properties

Compound Name5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene
PubChem CID141469361
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene
SMILESCC1(CCS(C)(=O)=O)C=CCS1
InChIInChI=1S/C8H14O2S2/c1-8(4-3-6-11-8)5-7-12(2,9)10/h3-4H,5-7H2,1-2H3
InChIKeyIRPPLLDFXHKATJ-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide
CID 24839
Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
Thiophene, 2,5-dihydro-2-methyl-, 1,1-dioxide
CID 22330
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
3-Butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
CID 12764580
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
(E,4S)-4-tert-butylsulfonylpent-2-ene
CID 138969022
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
3-tert-Butyl-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 13694643
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene?
The IUPAC name of 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene (CID 141469361) is 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene.
What is the SMILES notation for 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene?
The canonical SMILES for 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene is CC1(CCS(C)(=O)=O)C=CCS1.
What is the InChIKey of 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene?
The InChIKey is IRPPLLDFXHKATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-8(4-3-6-11-8)5-7-12(2,9)10/h3-4H,5-7H2,1-2H3.
What are the key properties of 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene?
5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene has a molecular weight of 206.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(2-methylsulfonylethyl)-2H-thiophene is sourced from PubChem (CID 141469361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).