(7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol

C10H18O3S — CID 115030941

IUPAC(7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1CC2CS(=O)(=O)CC(C1)C2CO
InChIInChI=1S/C10H18O3S/c1-7-2-8-5-14(12,13)6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3
InChIKeyNYOZOIBDNSCRCS-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.69
Rot. Bonds1

About (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol

(7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol (PubChem CID 115030941) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol.

Molecular Properties

Compound Name(7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
PubChem CID115030941
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name(7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1CC2CS(=O)(=O)CC(C1)C2CO
InChIInChI=1S/C10H18O3S/c1-7-2-8-5-14(12,13)6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3
InChIKeyNYOZOIBDNSCRCS-UHFFFAOYSA-N
XLogP0.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-Fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115023694
(7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115041494
(7,7-Difluoro-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115043653
2-(6,6-Dimethyl-2-bicyclo[3.1.1]heptanyl)-1-methylsulfonylethanol
CID 69476426
2-[4-(3-Methylsulfonylpropyl)cyclohexyl]ethanol
CID 147916125
[4-(Ethylsulfonylmethyl)cyclohexyl]methanol
CID 157595642
4-Ethylsulfonyl-1-(4-methylcyclohexyl)butan-1-ol
CID 65095588
1-(4-Ethylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 65394342
4-Methylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol
CID 65423160
4-Ethylsulfonyl-1-(4-propylcyclohexyl)butan-1-ol
CID 65423901
4-Ethylsulfonyl-1-(4-propan-2-ylcyclohexyl)butan-1-ol
CID 65424116
3-Methylsulfonyl-1-(4-propan-2-ylcyclohexyl)propan-1-ol
CID 65425290

Frequently Asked Questions

What is the IUPAC name of (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The IUPAC name of (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol (CID 115030941) is (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol.
What is the SMILES notation for (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The canonical SMILES for (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol is CC1CC2CS(=O)(=O)CC(C1)C2CO.
What is the InChIKey of (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The InChIKey is NYOZOIBDNSCRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-7-2-8-5-14(12,13)6-9(3-7)10(8)4-11/h7-11H,2-6H2,1H3.
What are the key properties of (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
(7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol has a molecular weight of 218.32 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol is sourced from PubChem (CID 115030941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).