7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide

C9H11NO2S — CID 130251228

IUPAC7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide
SMILESCc1cc2c(cn1)CCS(=O)(=O)C2
InChIInChI=1S/C9H11NO2S/c1-7-4-9-6-13(11,12)3-2-8(9)5-10-7/h4-5H,2-3,6H2,1H3
InChIKeyKJIQSTIQCMUHGK-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.86
Rot. Bonds

About 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide

7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide (PubChem CID 130251228) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide
PubChem CID130251228
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide
SMILESCc1cc2c(cn1)CCS(=O)(=O)C2
InChIInChI=1S/C9H11NO2S/c1-7-4-9-6-13(11,12)3-2-8(9)5-10-7/h4-5H,2-3,6H2,1H3
InChIKeyKJIQSTIQCMUHGK-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide
CID 176947713
7-methyl-3,4-dihydro-1H-pyrido[4,3-c]thiazine 2,2-dioxide
CID 58891465
3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59465173
6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1,1-dioxide
CID 58168659
1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide
CID 163968178
6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 63548744
6,6-dioxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-2-one
CID 105452693
1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
CID 130250704
2,6-dimethyl-3,4-dihydro-1H-2,7-naphthyridine;ethane
CID 145006597
(6S)-3,6-dimethyl-6-propan-2-yl-5,7-dihydrocyclopenta[c]pyridine
CID 155406679
(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 153306219
6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 158631254

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide?
The IUPAC name of 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide (CID 130251228) is 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide.
What is the SMILES notation for 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide?
The canonical SMILES for 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide is Cc1cc2c(cn1)CCS(=O)(=O)C2.
What is the InChIKey of 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide?
The InChIKey is KJIQSTIQCMUHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-7-4-9-6-13(11,12)3-2-8(9)5-10-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide?
7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide has a molecular weight of 197.26 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide is sourced from PubChem (CID 130251228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).