(1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol

C10H18OS — CID 157089653

IUPAC(1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)C[C@H]2CC[C@@H](C1)S2
InChIInChI=1S/C10H18OS/c1-7(2)10(11)5-8-3-4-9(6-10)12-8/h7-9,11H,3-6H2,1-2H3/t8-,9+,10?
InChIKeyKUUZJZFLDIZXKN-ULKQDVFKSA-N
MW186.32 g/mol
LogP2.43
Rot. Bonds1

About (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol

(1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 157089653) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol
PubChem CID157089653
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)C[C@H]2CC[C@@H](C1)S2
InChIInChI=1S/C10H18OS/c1-7(2)10(11)5-8-3-4-9(6-10)12-8/h7-9,11H,3-6H2,1-2H3/t8-,9+,10?
InChIKeyKUUZJZFLDIZXKN-ULKQDVFKSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-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 (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol (CID 157089653) is (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol is CC(C)C1(O)C[C@H]2CC[C@@H](C1)S2.
What is the InChIKey of (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is KUUZJZFLDIZXKN-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H18OS/c1-7(2)10(11)5-8-3-4-9(6-10)12-8/h7-9,11H,3-6H2,1-2H3/t8-,9+,10?.
What are the key properties of (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol?
(1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 186.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-propan-2-yl-8-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 157089653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).