4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

C9H15NO2S — CID 134943857

IUPAC4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCN1C2CC3CCC2(C3)CS1(=O)=O
InChIInChI=1S/C9H15NO2S/c1-10-8-4-7-2-3-9(8,5-7)6-13(10,11)12/h7-8H,2-6H2,1H3
InChIKeyCYYBTHHMISPWNS-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.82
Rot. Bonds

About 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide (PubChem CID 134943857) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide.

Molecular Properties

Compound Name4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
PubChem CID134943857
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCN1C2CC3CCC2(C3)CS1(=O)=O
InChIInChI=1S/C9H15NO2S/c1-10-8-4-7-2-3-9(8,5-7)6-13(10,11)12/h7-8H,2-6H2,1H3
InChIKeyCYYBTHHMISPWNS-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide 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

(1S,5R,7R)-4,10,10-trimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
CID 86814862
(2S,3S)-3-azido-2-bromo-1-(3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 135059080
1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane
CID 123877487
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane
CID 144554532
(5S)-2,5-dimethyl-2-azaspiro[3.4]octane;ethane
CID 169125292
2-(1-bicyclo[2.2.1]heptanyl)aziridine
CID 87666831
(1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane
CID 174346440
(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
CID 87078087
3-methylbicyclo[3.3.1]nonane-1-carbaldehyde
CID 123691668
methyl 4-[(3R)-3-hydroxy-3-tricyclo[4.2.1.01,4]nonanyl]benzoate
CID 101136309

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The IUPAC name of 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide (CID 134943857) is 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide.
What is the SMILES notation for 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The canonical SMILES for 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide is CN1C2CC3CCC2(C3)CS1(=O)=O.
What is the InChIKey of 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The InChIKey is CYYBTHHMISPWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-10-8-4-7-2-3-9(8,5-7)6-13(10,11)12/h7-8H,2-6H2,1H3.
What are the key properties of 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide has a molecular weight of 201.29 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide is sourced from PubChem (CID 134943857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).