5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide

C8H9NO2S — CID 176947713

IUPAC5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide
SMILESCc1cc2c(cn1)S(=O)(=O)CC2
InChIInChI=1S/C8H9NO2S/c1-6-4-7-2-3-12(10,11)8(7)5-9-6/h4-5H,2-3H2,1H3
InChIKeyVYTMLZIBPMWMTM-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.72
Rot. Bonds

About 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide

5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide (PubChem CID 176947713) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide.

Molecular Properties

Compound Name5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide
PubChem CID176947713
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide
SMILESCc1cc2c(cn1)S(=O)(=O)CC2
InChIInChI=1S/C8H9NO2S/c1-6-4-7-2-3-12(10,11)8(7)5-9-6/h4-5H,2-3H2,1H3
InChIKeyVYTMLZIBPMWMTM-UHFFFAOYSA-N
XLogP0.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide
CID 130251228
7-methyl-3,4-dihydro-1H-pyrido[4,3-c]thiazine 2,2-dioxide
CID 58891465
6-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-amine
CID 82373177
1,1-dioxo-2,3-dihydro-1-benzothiophene-5-thiol
CID 130413962
3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59465173
5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide
CID 56958300
2,6-dimethyl-3,4-dihydro-1H-2,7-naphthyridine;ethane
CID 145006597
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)propan-1-one
CID 59881743
5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide
CID 163551632
5-(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-1H-pyrazol-3-amine
CID 117376014

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide?
The IUPAC name of 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide (CID 176947713) is 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide.
What is the SMILES notation for 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide?
The canonical SMILES for 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide is Cc1cc2c(cn1)S(=O)(=O)CC2.
What is the InChIKey of 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide?
The InChIKey is VYTMLZIBPMWMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-6-4-7-2-3-12(10,11)8(7)5-9-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide?
5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide has a molecular weight of 183.23 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide is sourced from PubChem (CID 176947713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).