3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide

C12H20O3S — CID 165494949

IUPAC3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
SMILESCC(C)(C)C1CC1COC1C=CS(=O)(=O)C1
InChIInChI=1S/C12H20O3S/c1-12(2,3)11-6-9(11)7-15-10-4-5-16(13,14)8-10/h4-5,9-11H,6-8H2,1-3H3
InChIKeyUNMZDJWHXRUQOT-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.00
Rot. Bonds3

About 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide

3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165494949) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165494949
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
SMILESCC(C)(C)C1CC1COC1C=CS(=O)(=O)C1
InChIInChI=1S/C12H20O3S/c1-12(2,3)11-6-9(11)7-15-10-4-5-16(13,14)8-10/h4-5,9-11H,6-8H2,1-3H3
InChIKeyUNMZDJWHXRUQOT-UHFFFAOYSA-N
XLogP2.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-tert-butylcyclopropyl)methoxy]-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

3-(4-methylpentoxy)-2,3-dihydrothiophene 1,1-dioxide
CID 165489677
3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
CID 165489679
3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide
CID 165494538
(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 140898338
3-(2-cyclobutylpropoxy)-2,3-dihydrothiophene 1,1-dioxide
CID 165489724
3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
CID 165494558
3-(3-methylcyclohexyl)oxy-2,3-dihydrothiophene 1,1-dioxide
CID 165489680
1-tert-butyl-2-(fluoromethyl)cyclopropane
CID 176792850
N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60693769
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione
CID 10826510
[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium
CID 7452125

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide (CID 165494949) is 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide is CC(C)(C)C1CC1COC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is UNMZDJWHXRUQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c1-12(2,3)11-6-9(11)7-15-10-4-5-16(13,14)8-10/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide?
3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165494949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).