7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine

C9H13NS — CID 142914686

IUPAC7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine
SMILESCN1CCC2=C(C1)SCC=C2
InChIInChI=1S/C9H13NS/c1-10-5-4-8-3-2-6-11-9(8)7-10/h2-3H,4-7H2,1H3
InChIKeyWVALFQRCHWAKAD-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.88
Rot. Bonds

About 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine

7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine (PubChem CID 142914686) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine.

Molecular Properties

Compound Name7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine
PubChem CID142914686
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine
SMILESCN1CCC2=C(C1)SCC=C2
InChIInChI=1S/C9H13NS/c1-10-5-4-8-3-2-6-11-9(8)7-10/h2-3H,4-7H2,1H3
InChIKeyWVALFQRCHWAKAD-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142261980
3-Cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane
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1-Methyl-3-(1-methylthiopyran-4-yl)-2,5-dihydropyrrole
CID 163734582
3-methylidene-N,N-bis(2-methylsulfanylethyl)hepta-4,6-dien-1-amine
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N,N-bis(2-ethylsulfanylethyl)-3-methylidenehepta-4,6-dien-1-amine
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4-(3-Methylidenehepta-4,6-dienyl)thiomorpholine
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine?
The IUPAC name of 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine (CID 142914686) is 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine.
What is the SMILES notation for 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine?
The canonical SMILES for 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine is CN1CCC2=C(C1)SCC=C2.
What is the InChIKey of 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine?
The InChIKey is WVALFQRCHWAKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-10-5-4-8-3-2-6-11-9(8)7-10/h2-3H,4-7H2,1H3.
What are the key properties of 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine?
7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine has a molecular weight of 167.28 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine is sourced from PubChem (CID 142914686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).