3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide

C15H28O3S — CID 170153681

IUPAC3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide
SMILESCCCC1CS(=O)(=O)CC1CC(C)CC1CCCO1
InChIInChI=1S/C15H28O3S/c1-3-5-13-10-19(16,17)11-14(13)8-12(2)9-15-6-4-7-18-15/h12-15H,3-11H2,1-2H3
InChIKeyIACHESGOYBVOCC-UHFFFAOYSA-N
MW288.45 g/mol
LogP3.04
Rot. Bonds6

About 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide

3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide (PubChem CID 170153681) has the molecular formula C15H28O3S and a molecular weight of 288.45 g/mol. Its IUPAC name is 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide
PubChem CID170153681
Molecular FormulaC15H28O3S
Molecular Weight288.45 g/mol
Exact Mass288.18
IUPAC Name3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide
SMILESCCCC1CS(=O)(=O)CC1CC(C)CC1CCCO1
InChIInChI=1S/C15H28O3S/c1-3-5-13-10-19(16,17)11-14(13)8-12(2)9-15-6-4-7-18-15/h12-15H,3-11H2,1-2H3
InChIKeyIACHESGOYBVOCC-UHFFFAOYSA-N
XLogP3.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 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-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide?
The IUPAC name of 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide (CID 170153681) is 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide?
The canonical SMILES for 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide is CCCC1CS(=O)(=O)CC1CC(C)CC1CCCO1.
What is the InChIKey of 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide?
The InChIKey is IACHESGOYBVOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3S/c1-3-5-13-10-19(16,17)11-14(13)8-12(2)9-15-6-4-7-18-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide?
3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide has a molecular weight of 288.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-(oxolan-2-yl)propyl]-4-propylthiolane 1,1-dioxide is sourced from PubChem (CID 170153681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).