(6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol

C9H16O2S — CID 5259379

IUPAC(6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol
SMILESCS(=O)C1CC2CC(CO)C1C2
InChIInChI=1S/C9H16O2S/c1-12(11)9-4-6-2-7(5-10)8(9)3-6/h6-10H,2-5H2,1H3
InChIKeyNOEQXSRGMWGDAF-UHFFFAOYSA-N
MW188.29 g/mol
LogP0.77
Rot. Bonds2

About (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol

(6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol (PubChem CID 5259379) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol.

Molecular Properties

Compound Name(6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol
PubChem CID5259379
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol
SMILESCS(=O)C1CC2CC(CO)C1C2
InChIInChI=1S/C9H16O2S/c1-12(11)9-4-6-2-7(5-10)8(9)3-6/h6-10H,2-5H2,1H3
InChIKeyNOEQXSRGMWGDAF-UHFFFAOYSA-N
XLogP0.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol?
The IUPAC name of (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol (CID 5259379) is (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol.
What is the SMILES notation for (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol?
The canonical SMILES for (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol is CS(=O)C1CC2CC(CO)C1C2.
What is the InChIKey of (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol?
The InChIKey is NOEQXSRGMWGDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-12(11)9-4-6-2-7(5-10)8(9)3-6/h6-10H,2-5H2,1H3.
What are the key properties of (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol?
(6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol has a molecular weight of 188.29 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol is sourced from PubChem (CID 5259379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).