8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine

C12H17NS — CID 137412243

IUPAC8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine
SMILESCC(C)CC1=NCCC2=C1SCC=C2
InChIInChI=1S/C12H17NS/c1-9(2)8-11-12-10(5-6-13-11)4-3-7-14-12/h3-4,9H,5-8H2,1-2H3
InChIKeyGEVHKAFFYUQKJN-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.43
Rot. Bonds2

About 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine

8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine (PubChem CID 137412243) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine.

Molecular Properties

Compound Name8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine
PubChem CID137412243
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine
SMILESCC(C)CC1=NCCC2=C1SCC=C2
InChIInChI=1S/C12H17NS/c1-9(2)8-11-12-10(5-6-13-11)4-3-7-14-12/h3-4,9H,5-8H2,1-2H3
InChIKeyGEVHKAFFYUQKJN-UHFFFAOYSA-N
XLogP3.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine?
The IUPAC name of 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine (CID 137412243) is 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine.
What is the SMILES notation for 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine?
The canonical SMILES for 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine is CC(C)CC1=NCCC2=C1SCC=C2.
What is the InChIKey of 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine?
The InChIKey is GEVHKAFFYUQKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9(2)8-11-12-10(5-6-13-11)4-3-7-14-12/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine?
8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine has a molecular weight of 207.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine is sourced from PubChem (CID 137412243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).