9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol

C9H16O2S — CID 115017663

IUPAC9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol
SMILESOCC1C2CSCC1CC(O)C2
InChIInChI=1S/C9H16O2S/c10-3-9-6-1-8(11)2-7(9)5-12-4-6/h6-11H,1-5H2
InChIKeyFNHCIHXMXWSAMN-UHFFFAOYSA-N
MW188.29 g/mol
LogP0.73
Rot. Bonds1

About 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol

9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol (PubChem CID 115017663) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol
PubChem CID115017663
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol
SMILESOCC1C2CSCC1CC(O)C2
InChIInChI=1S/C9H16O2S/c10-3-9-6-1-8(11)2-7(9)5-12-4-6/h6-11H,1-5H2
InChIKeyFNHCIHXMXWSAMN-UHFFFAOYSA-N
XLogP0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methyl-5-methylsulfanylmethyl-3-thiabicyclo[3.3.1]nonan-6-ol
CID 129741856
1-(Butylsulfanylmethyl)-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol
CID 54376920
(5R)-1-(butylsulfanylmethyl)-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol
CID 88245919
1-[4-(Hydroxymethyl)thian-2-yl]cyclohexan-1-ol
CID 89872985
(3,4-Dimethylcyclohexyl)-(thian-2-yl)methanol
CID 80621988
1-(3,4-Dimethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105102991
3-Thiabicyclo[3.3.1]nonan-9-ylmethanol
CID 115014091
(7-Methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115017187
9-(Hydroxymethyl)-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-7-ol
CID 115032119

Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol (CID 115017663) is 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol is OCC1C2CSCC1CC(O)C2.
What is the InChIKey of 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol?
The InChIKey is FNHCIHXMXWSAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c10-3-9-6-1-8(11)2-7(9)5-12-4-6/h6-11H,1-5H2.
What are the key properties of 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol?
9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol has a molecular weight of 188.29 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-3-thiabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 115017663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).