6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide

C13H19NOS — CID 158631254

IUPAC6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
SMILESC=S1(=O)CCc2cc(C(C)(C)C)ncc2C1
InChIInChI=1S/C13H19NOS/c1-13(2,3)12-7-10-5-6-16(4,15)9-11(10)8-14-12/h7-8H,4-6,9H2,1-3H3
InChIKeyIAGAWJAODUCPPI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.15
Rot. Bonds

About 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide

6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide (PubChem CID 158631254) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide.

Molecular Properties

Compound Name6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
PubChem CID158631254
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
SMILESC=S1(=O)CCc2cc(C(C)(C)C)ncc2C1
InChIInChI=1S/C13H19NOS/c1-13(2,3)12-7-10-5-6-16(4,15)9-11(10)8-14-12/h7-8H,4-6,9H2,1-3H3
InChIKeyIAGAWJAODUCPPI-UHFFFAOYSA-N
XLogP2.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 153306219
2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine
CID 171767542
bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide
CID 165083683
1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone
CID 134595658
7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide
CID 130251228
7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide
CID 159202573
5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine
CID 58300308
6-tert-butyl-2,3-dihydro-1H-imidazo[4,5-c]pyridine
CID 138655061
5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 162245364
6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine
CID 155612987
2-tert-butyl-5-fluoro-4-methylpyridine
CID 59286667
4-bromo-2-tert-butyl-5-methylpyridine
CID 162468681

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide?
The IUPAC name of 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide (CID 158631254) is 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide.
What is the SMILES notation for 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide?
The canonical SMILES for 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide is C=S1(=O)CCc2cc(C(C)(C)C)ncc2C1.
What is the InChIKey of 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide?
The InChIKey is IAGAWJAODUCPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2,3)12-7-10-5-6-16(4,15)9-11(10)8-14-12/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide?
6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide has a molecular weight of 237.37 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide is sourced from PubChem (CID 158631254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).