7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine

C9H13NS — CID 170323479

IUPAC7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine
SMILESCC1CNC2=C(C1)SCC=C2
InChIInChI=1S/C9H13NS/c1-7-5-9-8(10-6-7)3-2-4-11-9/h2-3,7,10H,4-6H2,1H3
InChIKeyISYJKFSPDFFIMU-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.13
Rot. Bonds

About 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine

7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine (PubChem CID 170323479) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine.

Molecular Properties

Compound Name7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine
PubChem CID170323479
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine
SMILESCC1CNC2=C(C1)SCC=C2
InChIInChI=1S/C9H13NS/c1-7-5-9-8(10-6-7)3-2-4-11-9/h2-3,7,10H,4-6H2,1H3
InChIKeyISYJKFSPDFFIMU-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The IUPAC name of 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine (CID 170323479) is 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine.
What is the SMILES notation for 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The canonical SMILES for 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine is CC1CNC2=C(C1)SCC=C2.
What is the InChIKey of 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The InChIKey is ISYJKFSPDFFIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7-5-9-8(10-6-7)3-2-4-11-9/h2-3,7,10H,4-6H2,1H3.
What are the key properties of 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine has a molecular weight of 167.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine is sourced from PubChem (CID 170323479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).