7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol

C9H16O3S — CID 164564331

IUPAC7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol
SMILESCC1(O)CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C9H16O3S/c1-8(10)2-4-9(5-3-8)6-13(11,12)7-9/h10H,2-7H2,1H3
InChIKeyUMVLXMOQRWYUHD-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.73
Rot. Bonds

About 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol

7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol (PubChem CID 164564331) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol.

Molecular Properties

Compound Name7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol
PubChem CID164564331
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol
SMILESCC1(O)CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C9H16O3S/c1-8(10)2-4-9(5-3-8)6-13(11,12)7-9/h10H,2-7H2,1H3
InChIKeyUMVLXMOQRWYUHD-UHFFFAOYSA-N
XLogP0.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol?
The IUPAC name of 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol (CID 164564331) is 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol.
What is the SMILES notation for 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol?
The canonical SMILES for 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol is CC1(O)CCC2(CC1)CS(=O)(=O)C2.
What is the InChIKey of 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol?
The InChIKey is UMVLXMOQRWYUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-8(10)2-4-9(5-3-8)6-13(11,12)7-9/h10H,2-7H2,1H3.
What are the key properties of 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol?
7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol has a molecular weight of 204.29 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,2-dioxo-2λ6-thiaspiro[3.5]nonan-7-ol is sourced from PubChem (CID 164564331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).