3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide

C10H18O2S2 — CID 3760753

IUPAC3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCCCCSC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O2S2/c1-2-3-4-5-7-13-10-6-8-14(11,12)9-10/h6,8,10H,2-5,7,9H2,1H3
InChIKeyHUQJUQVTBCVIHN-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.61
Rot. Bonds6

About 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide

3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 3760753) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID3760753
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCCCCSC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18O2S2/c1-2-3-4-5-7-13-10-6-8-14(11,12)9-10/h6,8,10H,2-5,7,9H2,1H3
InChIKeyHUQJUQVTBCVIHN-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hexylsulfanyl-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

(3S)-3-dodecylsulfanylthiolane 1,1-dioxide
CID 98143387
(1,1-dioxo-2,3-dihydrothiophen-3-yl) N,N-diethylcarbamodithioate
CID 3699587
3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide
CID 3759361
4-octylsulfanyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
CID 13150035
hexylsulfanylcyclopentane
CID 534970
4-heptylsulfanylcyclohexan-1-one
CID 138676567
nonylsulfanylcyclohexane
CID 14783593
octylsulfanylcycloheptane
CID 70441156
octadecylsulfanylcyclohexane
CID 19905552
1-butyl-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 43828062
trans-(1S,2S)-2-tetradecylsulfanylcyclohexan-1-ol
CID 121392157
4-hexylsulfanyl-5,5-dimethylcyclopent-2-en-1-one
CID 101345084

Frequently Asked Questions

What is the IUPAC name of 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide (CID 3760753) is 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide is CCCCCCSC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is HUQJUQVTBCVIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-2-3-4-5-7-13-10-6-8-14(11,12)9-10/h6,8,10H,2-5,7,9H2,1H3.
What are the key properties of 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 234.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 3760753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).