1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol

C10H18OS — CID 130142553

IUPAC1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol
SMILESCC1CC2(C)CSC1(C)CC2O
InChIInChI=1S/C10H18OS/c1-7-4-9(2)6-12-10(7,3)5-8(9)11/h7-8,11H,4-6H2,1-3H3
InChIKeyYHUONDLXKYLKKS-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.29
Rot. Bonds

About 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol

1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol (PubChem CID 130142553) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol
PubChem CID130142553
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol
SMILESCC1CC2(C)CSC1(C)CC2O
InChIInChI=1S/C10H18OS/c1-7-4-9(2)6-12-10(7,3)5-8(9)11/h7-8,11H,4-6H2,1-3H3
InChIKeyYHUONDLXKYLKKS-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol 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 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol?
The IUPAC name of 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol (CID 130142553) is 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol is CC1CC2(C)CSC1(C)CC2O.
What is the InChIKey of 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol?
The InChIKey is YHUONDLXKYLKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-7-4-9(2)6-12-10(7,3)5-8(9)11/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol?
1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol has a molecular weight of 186.32 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-2-thiabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 130142553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).