3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide

C8H14O4S2 — CID 3759361

IUPAC3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCCS(=O)(=O)C1C=CS(=O)(=O)C1
InChIInChI=1S/C8H14O4S2/c1-2-3-5-14(11,12)8-4-6-13(9,10)7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyPERHLMBUXVYGHX-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.51
Rot. Bonds4

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

3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 3759361) has the molecular formula C8H14O4S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID3759361
Molecular FormulaC8H14O4S2
Molecular Weight238.33 g/mol
Exact Mass238.03
IUPAC Name3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCCS(=O)(=O)C1C=CS(=O)(=O)C1
InChIInChI=1S/C8H14O4S2/c1-2-3-5-14(11,12)8-4-6-13(9,10)7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyPERHLMBUXVYGHX-UHFFFAOYSA-N
XLogP0.51
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
CID 3760753
1,1-dioxo-4-pentylsulfonylthiolan-3-ol
CID 3053238
1-butyl-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 43828062
pentylsulfonylcyclopropane
CID 165043967
hexyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamate
CID 43828165
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]hexanoic acid
CID 103255038
1-ethylsulfonylsulfonylbutane
CID 141390802
3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
CID 165489679
1-butylsulfonylbutane;thiolane 1,1-dioxide
CID 170346505
N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
CID 40506122
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylpentanamide
CID 40505612
(3S)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 7059052

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide (CID 3759361) is 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide is CCCCS(=O)(=O)C1C=CS(=O)(=O)C1.
What is the InChIKey of 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is PERHLMBUXVYGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S2/c1-2-3-5-14(11,12)8-4-6-13(9,10)7-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide?
3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 238.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 3759361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).