3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide

C11H18O3S — CID 165489724

IUPAC3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC(COC1C=CS(=O)(=O)C1)C1CCC1
InChIInChI=1S/C11H18O3S/c1-9(10-3-2-4-10)7-14-11-5-6-15(12,13)8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyPDNRKRLASXWDEH-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.75
Rot. Bonds4

About 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide

3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489724) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489724
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC(COC1C=CS(=O)(=O)C1)C1CCC1
InChIInChI=1S/C11H18O3S/c1-9(10-3-2-4-10)7-14-11-5-6-15(12,13)8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyPDNRKRLASXWDEH-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
CID 165489679
3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide
CID 165489680
3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
CID 165494558
1-methoxypropan-2-ylcyclopentane
CID 88998786
2-cyclopentylpropyl formate
CID 89150762
N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 106452157
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
(3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine
CID 164926661
N-(3-methylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60694979
1-methylperoxypropan-2-ylcyclohexane
CID 58133241
4,5-dimethylheptan-2-ylcyclobutane
CID 123660607
3-cyclobutylbutanoic acid
CID 82594402

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165489724) is 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide is CC(COC1C=CS(=O)(=O)C1)C1CCC1.
What is the InChIKey of 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is PDNRKRLASXWDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c1-9(10-3-2-4-10)7-14-11-5-6-15(12,13)8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 230.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).