3-cyclohexylsulfanylthiolane 1,1-dioxide

C10H18O2S2 — CID 83381402

IUPAC3-cyclohexylsulfanylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(SC2CCCCC2)C1
InChIInChI=1S/C10H18O2S2/c11-14(12)7-6-10(8-14)13-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyFKQZNSWBYXAFPX-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.24
Rot. Bonds2

About 3-cyclohexylsulfanylthiolane 1,1-dioxide

3-cyclohexylsulfanylthiolane 1,1-dioxide (PubChem CID 83381402) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-cyclohexylsulfanylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-cyclohexylsulfanylthiolane 1,1-dioxide
PubChem CID83381402
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name3-cyclohexylsulfanylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(SC2CCCCC2)C1
InChIInChI=1S/C10H18O2S2/c11-14(12)7-6-10(8-14)13-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyFKQZNSWBYXAFPX-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methylsulfanylthiolane 1,1-dioxide
CID 51415830
1-(azocan-1-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylethanone
CID 95572289
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067
3-cyclohexyloxythiolane 1,1-dioxide
CID 4585423
2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18777901
3-prop-2-enylsulfanylthiolane 1,1-dioxide
CID 3771616
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 60667109
(3S)-3-dodecylsulfanylthiolane 1,1-dioxide
CID 98143387
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43572871

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanylthiolane 1,1-dioxide?
The IUPAC name of 3-cyclohexylsulfanylthiolane 1,1-dioxide (CID 83381402) is 3-cyclohexylsulfanylthiolane 1,1-dioxide.
What is the SMILES notation for 3-cyclohexylsulfanylthiolane 1,1-dioxide?
The canonical SMILES for 3-cyclohexylsulfanylthiolane 1,1-dioxide is O=S1(=O)CCC(SC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexylsulfanylthiolane 1,1-dioxide?
The InChIKey is FKQZNSWBYXAFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c11-14(12)7-6-10(8-14)13-9-4-2-1-3-5-9/h9-10H,1-8H2.
What are the key properties of 3-cyclohexylsulfanylthiolane 1,1-dioxide?
3-cyclohexylsulfanylthiolane 1,1-dioxide has a molecular weight of 234.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanylthiolane 1,1-dioxide is sourced from PubChem (CID 83381402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).