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

C10H16O3S — CID 165486050

IUPAC3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(OCCCC2CC2)C1
InChIInChI=1S/C10H16O3S/c11-14(12)7-5-10(8-14)13-6-1-2-9-3-4-9/h5,7,9-10H,1-4,6,8H2
InChIKeyDFIFVHDUJIBHGX-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.50
Rot. Bonds5

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

3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165486050) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165486050
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(OCCCC2CC2)C1
InChIInChI=1S/C10H16O3S/c11-14(12)7-5-10(8-14)13-6-1-2-9-3-4-9/h5,7,9-10H,1-4,6,8H2
InChIKeyDFIFVHDUJIBHGX-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-cyclopropylpropoxy)-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165486050) is 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=CC(OCCCC2CC2)C1.
What is the InChIKey of 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is DFIFVHDUJIBHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c11-14(12)7-5-10(8-14)13-6-1-2-9-3-4-9/h5,7,9-10H,1-4,6,8H2.
What are the key properties of 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 216.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylpropoxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165486050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).