2-(8-methylnonoxy)thiolane 1,1-dioxide

C14H28O3S — CID 23050943

IUPAC2-(8-methylnonoxy)thiolane 1,1-dioxide
SMILESCC(C)CCCCCCCOC1CCCS1(=O)=O
InChIInChI=1S/C14H28O3S/c1-13(2)9-6-4-3-5-7-11-17-14-10-8-12-18(14,15)16/h13-14H,3-12H2,1-2H3
InChIKeyLDUZPBUAABGPDG-UHFFFAOYSA-N
MW276.44 g/mol
LogP3.53
Rot. Bonds9

About 2-(8-methylnonoxy)thiolane 1,1-dioxide

2-(8-methylnonoxy)thiolane 1,1-dioxide (PubChem CID 23050943) has the molecular formula C14H28O3S and a molecular weight of 276.44 g/mol. Its IUPAC name is 2-(8-methylnonoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(8-methylnonoxy)thiolane 1,1-dioxide
PubChem CID23050943
Molecular FormulaC14H28O3S
Molecular Weight276.44 g/mol
Exact Mass276.18
IUPAC Name2-(8-methylnonoxy)thiolane 1,1-dioxide
SMILESCC(C)CCCCCCCOC1CCCS1(=O)=O
InChIInChI=1S/C14H28O3S/c1-13(2)9-6-4-3-5-7-11-17-14-10-8-12-18(14,15)16/h13-14H,3-12H2,1-2H3
InChIKeyLDUZPBUAABGPDG-UHFFFAOYSA-N
XLogP3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-methylnonoxy)thiolane 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 2-(8-methylnonoxy)thiolane 1,1-dioxide?
The IUPAC name of 2-(8-methylnonoxy)thiolane 1,1-dioxide (CID 23050943) is 2-(8-methylnonoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(8-methylnonoxy)thiolane 1,1-dioxide?
The canonical SMILES for 2-(8-methylnonoxy)thiolane 1,1-dioxide is CC(C)CCCCCCCOC1CCCS1(=O)=O.
What is the InChIKey of 2-(8-methylnonoxy)thiolane 1,1-dioxide?
The InChIKey is LDUZPBUAABGPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3S/c1-13(2)9-6-4-3-5-7-11-17-14-10-8-12-18(14,15)16/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-(8-methylnonoxy)thiolane 1,1-dioxide?
2-(8-methylnonoxy)thiolane 1,1-dioxide has a molecular weight of 276.44 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylnonoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 23050943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).