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

C9H16O4S — CID 165489679

IUPAC3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCOCCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H16O4S/c1-2-4-12-5-6-13-9-3-7-14(10,11)8-9/h3,7,9H,2,4-6,8H2,1H3
InChIKeyRLQDGCWHPZCDFC-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.74
Rot. Bonds6

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

3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165489679) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165489679
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCOCCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H16O4S/c1-2-4-12-5-6-13-9-3-7-14(10,11)8-9/h3,7,9H,2,4-6,8H2,1H3
InChIKeyRLQDGCWHPZCDFC-UHFFFAOYSA-N
XLogP0.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propoxy-3-(2-propoxyethoxy)cyclobutan-1-ol
CID 107942594
N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 106452157
2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate
CID 99977562
1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990097
hexyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamate
CID 43828165
4-(2-propoxyethoxy)cyclohexan-1-amine
CID 63684379
sodium 2-propoxyethyl sulfate
CID 101475509
3-hexylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
CID 3760753
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl] 2,4,6-trimethylbenzoate
CID 11818333
1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine
CID 87913986
N-ethyl-3-(2-propoxyethoxy)cyclobutan-1-amine
CID 66352909

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165489679) is 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide is CCCOCCOC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is RLQDGCWHPZCDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4S/c1-2-4-12-5-6-13-9-3-7-14(10,11)8-9/h3,7,9H,2,4-6,8H2,1H3.
What are the key properties of 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 220.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethoxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165489679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).