3,4-dibutoxythiolane 1,1-dioxide

C12H24O4S — CID 3773251

IUPAC3,4-dibutoxythiolane 1,1-dioxide
SMILESCCCCOC1CS(=O)(=O)CC1OCCCC
InChIInChI=1S/C12H24O4S/c1-3-5-7-15-11-9-17(13,14)10-12(11)16-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyYZMAHZNNBVQSKT-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.79
Rot. Bonds8

About 3,4-dibutoxythiolane 1,1-dioxide

3,4-dibutoxythiolane 1,1-dioxide (PubChem CID 3773251) has the molecular formula C12H24O4S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3,4-dibutoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-dibutoxythiolane 1,1-dioxide
PubChem CID3773251
Molecular FormulaC12H24O4S
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Name3,4-dibutoxythiolane 1,1-dioxide
SMILESCCCCOC1CS(=O)(=O)CC1OCCCC
InChIInChI=1S/C12H24O4S/c1-3-5-7-15-11-9-17(13,14)10-12(11)16-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyYZMAHZNNBVQSKT-UHFFFAOYSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dibutoxythiolane 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 3,4-dibutoxythiolane 1,1-dioxide?
The IUPAC name of 3,4-dibutoxythiolane 1,1-dioxide (CID 3773251) is 3,4-dibutoxythiolane 1,1-dioxide.
What is the SMILES notation for 3,4-dibutoxythiolane 1,1-dioxide?
The canonical SMILES for 3,4-dibutoxythiolane 1,1-dioxide is CCCCOC1CS(=O)(=O)CC1OCCCC.
What is the InChIKey of 3,4-dibutoxythiolane 1,1-dioxide?
The InChIKey is YZMAHZNNBVQSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4S/c1-3-5-7-15-11-9-17(13,14)10-12(11)16-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 3,4-dibutoxythiolane 1,1-dioxide?
3,4-dibutoxythiolane 1,1-dioxide has a molecular weight of 264.39 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutoxythiolane 1,1-dioxide is sourced from PubChem (CID 3773251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).