CID 89399770

C14H20O2S2 — CID 89399770

IUPAC—
SMILESC1CC2(CC3SC13)OCC1(CC[C@@H]3SC3C1)CO2
InChIInChI=1S/C14H20O2S2/c1-3-13(5-11-9(1)17-11)7-15-14(16-8-13)4-2-10-12(6-14)18-10/h9-12H,1-8H2/t9-,10?,11?,12?,13?,14?/m0/s1
InChIKeyATZKAWDXFDPYNA-FTPDJBBVSA-N
MW284.45 g/mol
LogP3.05
Rot. Bonds

About CID 89399770

CID 89399770 (PubChem CID 89399770) has the molecular formula C14H20O2S2 and a molecular weight of 284.45 g/mol.

Molecular Properties

Compound NameCID 89399770
PubChem CID89399770
Molecular FormulaC14H20O2S2
Molecular Weight284.45 g/mol
Exact Mass284.09
IUPAC Name—
SMILESC1CC2(CC3SC13)OCC1(CC[C@@H]3SC3C1)CO2
InChIInChI=1S/C14H20O2S2/c1-3-13(5-11-9(1)17-11)7-15-14(16-8-13)4-2-10-12(6-14)18-10/h9-12H,1-8H2/t9-,10?,11?,12?,13?,14?/m0/s1
InChIKeyATZKAWDXFDPYNA-FTPDJBBVSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze CID 89399770 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 CID 89399770?
The IUPAC name of CID 89399770 (CID 89399770) is not available.
What is the SMILES notation for CID 89399770?
The canonical SMILES for CID 89399770 is C1CC2(CC3SC13)OCC1(CC[C@@H]3SC3C1)CO2.
What is the InChIKey of CID 89399770?
The InChIKey is ATZKAWDXFDPYNA-FTPDJBBVSA-N. The full InChI is InChI=1S/C14H20O2S2/c1-3-13(5-11-9(1)17-11)7-15-14(16-8-13)4-2-10-12(6-14)18-10/h9-12H,1-8H2/t9-,10?,11?,12?,13?,14?/m0/s1.
What are the key properties of CID 89399770?
CID 89399770 has a molecular weight of 284.45 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89399770 is sourced from PubChem (CID 89399770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).