7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol

C9H16OS — CID 115014090

IUPAC7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
SMILESCC1CC2CSCC(C1)C2O
InChIInChI=1S/C9H16OS/c1-6-2-7-4-11-5-8(3-6)9(7)10/h6-10H,2-5H2,1H3
InChIKeyWPOQQNWNQADPTJ-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.76
Rot. Bonds

About 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol

7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol (PubChem CID 115014090) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
PubChem CID115014090
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
SMILESCC1CC2CSCC(C1)C2O
InChIInChI=1S/C9H16OS/c1-6-2-7-4-11-5-8(3-6)9(7)10/h6-10H,2-5H2,1H3
InChIKeyWPOQQNWNQADPTJ-UHFFFAOYSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,6S)-2-(1,3-dithian-2-yl)-6-[(1S)-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
CID 14764451
8-Methyl-5-methylsulfanylmethyl-3-thiabicyclo[3.3.1]nonan-6-ol
CID 129741856
2,6-Bis(methylthiomethyl)cyclohexan-1-ol
CID 129773590
7-Fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115018305
7,7-Difluoro-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115019816
7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115033318
2-(2-Methyl-1,3-dithian-2-yl)cyclohexan-1-ol
CID 18363966
2,6-Dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
CID 18739538
2-(1,3-Dithian-2-yl)cyclohexan-1-ol
CID 22891764
Dichlorotitanium;2-(2-hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
CID 59909186
2-(2-Hydroxy-3,5-dimethylcyclohexyl)sulfanyl-4,6-dimethylcyclohexan-1-ol
CID 59909187
4-Ethylsulfanyl-2,6-dimethylcyclohexan-1-ol
CID 90824879

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol (CID 115014090) is 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol is CC1CC2CSCC(C1)C2O.
What is the InChIKey of 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol?
The InChIKey is WPOQQNWNQADPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-6-2-7-4-11-5-8(3-6)9(7)10/h6-10H,2-5H2,1H3.
What are the key properties of 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol?
7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol has a molecular weight of 172.29 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 115014090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).