2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate

C11H17NOS — CID 145188493

IUPAC2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate
SMILESCC(C)c1ccc2c(n1)CSCC2.O
InChIInChI=1S/C11H15NS.H2O/c1-8(2)10-4-3-9-5-6-13-7-11(9)12-10;/h3-4,8H,5-7H2,1-2H3;1H2
InChIKeyKKNPUPMJSQUVPB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.17
Rot. Bonds1

About 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate

2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate (PubChem CID 145188493) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate.

Molecular Properties

Compound Name2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate
PubChem CID145188493
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate
SMILESCC(C)c1ccc2c(n1)CSCC2.O
InChIInChI=1S/C11H15NS.H2O/c1-8(2)10-4-3-9-5-6-13-7-11(9)12-10;/h3-4,8H,5-7H2,1-2H3;1H2
InChIKeyKKNPUPMJSQUVPB-UHFFFAOYSA-N
XLogP2.17
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide
CID 122696594
5-methyl-13-thia-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3,5,7,9-pentaen-7-amine
CID 96598684
2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 122696780
7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 157406888
2-propan-2-yl-7,8-dihydroquinoline
CID 89161554
1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one
CID 176827651
5-propan-2-yl-3,4-dihydro-1H-isothiochromene-6-carbonitrile
CID 96610343
2,7-di(propan-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 171743484
7-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 118504510
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine
CID 159848824
2-hydroxy-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163544536
N,N-dimethyl-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanamine
CID 134555279

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate?
The IUPAC name of 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate (CID 145188493) is 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate.
What is the SMILES notation for 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate?
The canonical SMILES for 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate is CC(C)c1ccc2c(n1)CSCC2.O.
What is the InChIKey of 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate?
The InChIKey is KKNPUPMJSQUVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS.H2O/c1-8(2)10-4-3-9-5-6-13-7-11(9)12-10;/h3-4,8H,5-7H2,1-2H3;1H2.
What are the key properties of 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate?
2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate has a molecular weight of 211.33 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate is sourced from PubChem (CID 145188493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).