2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol

C11H20OS — CID 134882564

IUPAC2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol
SMILESCS[C@@H]1C[C@H]2C[C@@H]1[C@@H](C(C)(C)O)C2
InChIInChI=1S/C11H20OS/c1-11(2,12)9-5-7-4-8(9)10(6-7)13-3/h7-10,12H,4-6H2,1-3H3/t7-,8+,9-,10+/m0/s1
InChIKeyOFQQJFUGDJDJDF-QCLAVDOMSA-N
MW200.35 g/mol
LogP2.54
Rot. Bonds2

About 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol

2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol (PubChem CID 134882564) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol
PubChem CID134882564
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol
SMILESCS[C@@H]1C[C@H]2C[C@@H]1[C@@H](C(C)(C)O)C2
InChIInChI=1S/C11H20OS/c1-11(2,12)9-5-7-4-8(9)10(6-7)13-3/h7-10,12H,4-6H2,1-3H3/t7-,8+,9-,10+/m0/s1
InChIKeyOFQQJFUGDJDJDF-QCLAVDOMSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol?
The IUPAC name of 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol (CID 134882564) is 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol.
What is the SMILES notation for 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol?
The canonical SMILES for 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol is CS[C@@H]1C[C@H]2C[C@@H]1[C@@H](C(C)(C)O)C2.
What is the InChIKey of 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol?
The InChIKey is OFQQJFUGDJDJDF-QCLAVDOMSA-N. The full InChI is InChI=1S/C11H20OS/c1-11(2,12)9-5-7-4-8(9)10(6-7)13-3/h7-10,12H,4-6H2,1-3H3/t7-,8+,9-,10+/m0/s1.
What are the key properties of 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol?
2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol has a molecular weight of 200.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol is sourced from PubChem (CID 134882564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).