(2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride

C11H22ClNO3S — CID 138007946

IUPAC(2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride
SMILESCC1C[N+]2(CCS(=O)(=O)CC2)CC1(C)CO.[Cl-]
InChIInChI=1S/C11H22NO3S.ClH/c1-10-7-12(8-11(10,2)9-13)3-5-16(14,15)6-4-12;/h10,13H,3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyOBSPFSKQWJNNFW-UHFFFAOYSA-M
MW283.82 g/mol
LogP-3.12
Rot. Bonds1

About (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride

(2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride (PubChem CID 138007946) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride.

Molecular Properties

Compound Name(2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride
PubChem CID138007946
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name(2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride
SMILESCC1C[N+]2(CCS(=O)(=O)CC2)CC1(C)CO.[Cl-]
InChIInChI=1S/C11H22NO3S.ClH/c1-10-7-12(8-11(10,2)9-13)3-5-16(14,15)6-4-12;/h10,13H,3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyOBSPFSKQWJNNFW-UHFFFAOYSA-M
XLogP-3.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride with MolForge

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

Launch Full Analysis

Related Compounds

(3-fluoro-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride
CID 138046081
(4-methyl-1,1-dioxothian-4-yl)methanol
CID 129107203
(3aS,6aR)-spiro[1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ium-5,4'-1,4-thiazinan-4-ium] 1',1'-dioxide
CID 138046090
3'-methyl-1,1-dioxospiro[1,4-thiazinan-4-ium-4,8'-8-azoniabicyclo[3.2.1]octane]-3'-ol chloride
CID 138007972
9-methyl-9-propan-2-yl-3λ6-thia-6-azoniaspiro[5.5]undecane 3,3-dioxide
CID 138006218
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
CID 7061819
(4-fluoro-1,1-dioxothian-4-yl)methanol
CID 126845686
3,5-bis(hydroxymethyl)-3,5-dimethyloxan-4-ol
CID 154094053
4-methyl-1,1-dioxothian-4-ol
CID 58387715

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride?
The IUPAC name of (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride (CID 138007946) is (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride.
What is the SMILES notation for (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride?
The canonical SMILES for (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride is CC1C[N+]2(CCS(=O)(=O)CC2)CC1(C)CO.[Cl-].
What is the InChIKey of (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride?
The InChIKey is OBSPFSKQWJNNFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22NO3S.ClH/c1-10-7-12(8-11(10,2)9-13)3-5-16(14,15)6-4-12;/h10,13H,3-9H2,1-2H3;1H/q+1;/p-1.
What are the key properties of (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride?
(2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride has a molecular weight of 283.82 g/mol, XLogP of -3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride is sourced from PubChem (CID 138007946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).