3-butylsulfonylthiolane 1,1-dioxide

C8H16O4S2 — CID 2829782

IUPAC3-butylsulfonylthiolane 1,1-dioxide
SMILESCCCCS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16O4S2/c1-2-3-5-14(11,12)8-4-6-13(9,10)7-8/h8H,2-7H2,1H3
InChIKeyRQJLVZQHCOGGSA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.39
Rot. Bonds4

About 3-butylsulfonylthiolane 1,1-dioxide

3-butylsulfonylthiolane 1,1-dioxide (PubChem CID 2829782) has the molecular formula C8H16O4S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-butylsulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-butylsulfonylthiolane 1,1-dioxide
PubChem CID2829782
Molecular FormulaC8H16O4S2
Molecular Weight240.35 g/mol
Exact Mass240.05
IUPAC Name3-butylsulfonylthiolane 1,1-dioxide
SMILESCCCCS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16O4S2/c1-2-3-5-14(11,12)8-4-6-13(9,10)7-8/h8H,2-7H2,1H3
InChIKeyRQJLVZQHCOGGSA-UHFFFAOYSA-N
XLogP0.39
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonethylmethane
CID 6433
Dibutyl sulfone
CID 69014
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(3S,4S)-3,4-bis((R)-hexylsulfinyl)tetrahydrothiophene 1,1-dioxide
CID 657958
Thiophene, tetrahydro-3-(octylsulfinyl)-, 1,1-dioxide
CID 3713404
1,2-Bis(butylsulfonyl)ethane
CID 546356
Sulfone, bis(2-(butylthio)ethyl)
CID 205255
3-Ethylsulfanylthiolane 1,1-dioxide
CID 315894
1,1'-(1,2-Ethanediylbis(sulfonyl))bispropane
CID 19091
3-[(1,1-Dioxothiolan-3-yl)sulfonyl]thiolane-1,1-dione
CID 2829785
3-[(1,1-Dioxo-1lambda6-thiolan-3-yl)disulfanyl]-1lambda6-thiolane-1,1-dione
CID 2831223
Bis(butylsulfonyl)methane
CID 3677604

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonylthiolane 1,1-dioxide?
The IUPAC name of 3-butylsulfonylthiolane 1,1-dioxide (CID 2829782) is 3-butylsulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 3-butylsulfonylthiolane 1,1-dioxide?
The canonical SMILES for 3-butylsulfonylthiolane 1,1-dioxide is CCCCS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-butylsulfonylthiolane 1,1-dioxide?
The InChIKey is RQJLVZQHCOGGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S2/c1-2-3-5-14(11,12)8-4-6-13(9,10)7-8/h8H,2-7H2,1H3.
What are the key properties of 3-butylsulfonylthiolane 1,1-dioxide?
3-butylsulfonylthiolane 1,1-dioxide has a molecular weight of 240.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 2829782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).