5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine

C10H14N2S — CID 177021750

IUPAC5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCSc1ccc2c(n1)CCNC2C
InChIInChI=1S/C10H14N2S/c1-7-8-3-4-10(13-2)12-9(8)5-6-11-7/h3-4,7,11H,5-6H2,1-2H3
InChIKeyARAPAUOEWVDXAC-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.01
Rot. Bonds1

About 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine

5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 177021750) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID177021750
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCSc1ccc2c(n1)CCNC2C
InChIInChI=1S/C10H14N2S/c1-7-8-3-4-10(13-2)12-9(8)5-6-11-7/h3-4,7,11H,5-6H2,1-2H3
InChIKeyARAPAUOEWVDXAC-UHFFFAOYSA-N
XLogP2.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 177021750) is 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine is CSc1ccc2c(n1)CCNC2C.
What is the InChIKey of 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is ARAPAUOEWVDXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-8-3-4-10(13-2)12-9(8)5-6-11-7/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 194.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 177021750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).