(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide

C12H18N2OS — CID 153306219

IUPAC(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
SMILES[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc2C1
InChIInChI=1S/C12H18N2OS/c1-12(2,3)11-6-9-4-5-16(13,15)8-10(9)7-14-11/h6-7,13H,4-5,8H2,1-3H3/t16-/m0/s1
InChIKeyGOFJVRDGIGNPFL-INIZCTEOSA-N
MW238.36 g/mol
LogP2.48
Rot. Bonds

About (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide

(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide (PubChem CID 153306219) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide.

Molecular Properties

Compound Name(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
PubChem CID153306219
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
SMILES[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc2C1
InChIInChI=1S/C12H18N2OS/c1-12(2,3)11-6-9-4-5-16(13,15)8-10(9)7-14-11/h6-7,13H,4-5,8H2,1-3H3/t16-/m0/s1
InChIKeyGOFJVRDGIGNPFL-INIZCTEOSA-N
XLogP2.48
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide with MolForge

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Related Compounds

6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 158631254
2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
CID 153306204
2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine
CID 171767542
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
5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide
CID 176947713
5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine
CID 58300308
7-methyl-3,4-dihydro-1H-pyrido[4,3-c]thiazine 2,2-dioxide
CID 58891465
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
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
6-imino-2-(1-iodoethyl)-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
CID 142414041

Frequently Asked Questions

What is the IUPAC name of (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide?
The IUPAC name of (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide (CID 153306219) is (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide.
What is the SMILES notation for (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide?
The canonical SMILES for (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide is [H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc2C1.
What is the InChIKey of (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide?
The InChIKey is GOFJVRDGIGNPFL-INIZCTEOSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-12(2,3)11-6-9-4-5-16(13,15)8-10(9)7-14-11/h6-7,13H,4-5,8H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide?
(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide has a molecular weight of 238.36 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide is sourced from PubChem (CID 153306219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).