3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide

C9H11NO2S — CID 21300229

IUPAC3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide
SMILESCC1(C)CS(=O)(=O)c2cnccc21
InChIInChI=1S/C9H11NO2S/c1-9(2)6-13(11,12)8-5-10-4-3-7(8)9/h3-5H,6H2,1-2H3
InChIKeyKUWLACJAEMDDOO-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.15
Rot. Bonds

About 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide

3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide (PubChem CID 21300229) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide.

Molecular Properties

Compound Name3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide
PubChem CID21300229
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide
SMILESCC1(C)CS(=O)(=O)c2cnccc21
InChIInChI=1S/C9H11NO2S/c1-9(2)6-13(11,12)8-5-10-4-3-7(8)9/h3-5H,6H2,1-2H3
InChIKeyKUWLACJAEMDDOO-UHFFFAOYSA-N
XLogP1.15
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-6,7-dihydroisoquinolin-8-one
CID 12648560
2,4,4-trimethyl-1H-2,7-naphthyridin-3-one
CID 21300141
3-(4-methyl-3-pyridinyl)-1,1-dioxothiolan-3-ol
CID 66271369
3,3-dimethyl-2H-thieno[3,2-c]pyridine 1-oxide
CID 21300225
3,3-dimethyl-2H-thieno[3,2-c]pyridine
CID 21300242
2-methyl-2-oxo-2λ6-thia-3,8-diazabicyclo[4.4.0]deca-1(6),2,7,9-tetraen-4-one
CID 155432018
2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10035597
1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine
CID 68633294
5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine
CID 162518698
1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
CID 21300254
4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10012589
4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10845683

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide?
The IUPAC name of 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide (CID 21300229) is 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide.
What is the SMILES notation for 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide?
The canonical SMILES for 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide is CC1(C)CS(=O)(=O)c2cnccc21.
What is the InChIKey of 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide?
The InChIKey is KUWLACJAEMDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-9(2)6-13(11,12)8-5-10-4-3-7(8)9/h3-5H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide?
3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide has a molecular weight of 197.26 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide is sourced from PubChem (CID 21300229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).