(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol

C10H18OS — CID 115017187

IUPAC(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1CC2CSCC(C1)C2CO
InChIInChI=1S/C10H18OS/c1-7-2-8-5-12-6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3
InChIKeyXNVSDQPDEGCILQ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.00
Rot. Bonds1

About (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol

(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol (PubChem CID 115017187) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol.

Molecular Properties

Compound Name(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
PubChem CID115017187
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1CC2CSCC(C1)C2CO
InChIInChI=1S/C10H18OS/c1-7-2-8-5-12-6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3
InChIKeyXNVSDQPDEGCILQ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-5-methylsulfanylmethyl-3-thiabicyclo[3.3.1]nonan-6-ol
CID 129741856
(7-Fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115023694
(7,7-Difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115025866
(7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115041494
3-(4-Ethyl-1,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[c]thiepin-5-yl)propan-1-ol
CID 142086154
2,3-Dimethyl-4-(4-propan-2-ylthian-2-yl)butan-1-ol
CID 169859018
3-(4-Methylcyclohexyl)-6-methylsulfanylhexan-1-ol
CID 170091818
1-(3,4-Dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol
CID 64740015
1-(3,4-Dimethylcyclohexyl)-2-methylsulfanylethanol
CID 64740031
1-(3,4-Dimethylcyclohexyl)-2-propylsulfanylethanol
CID 65130075
1-(3,4-Dimethylcyclohexyl)-2-ethylsulfanylethanol
CID 65131100
1-(3,4-Dimethylcyclohexyl)-2-propan-2-ylsulfanylethanol
CID 65131868

Frequently Asked Questions

What is the IUPAC name of (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The IUPAC name of (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol (CID 115017187) is (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol.
What is the SMILES notation for (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The canonical SMILES for (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol is CC1CC2CSCC(C1)C2CO.
What is the InChIKey of (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The InChIKey is XNVSDQPDEGCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-7-2-8-5-12-6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3.
What are the key properties of (7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
(7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol has a molecular weight of 186.32 g/mol, XLogP of 2.00, 1 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-yl)methanol is sourced from PubChem (CID 115017187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).