8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine

C12H13NS — CID 83398136

IUPAC8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
SMILESCc1cccc2c3c(sc12)CNCC3
InChIInChI=1S/C12H13NS/c1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10/h2-4,13H,5-7H2,1H3
InChIKeyJBNGHKPKQGEELV-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.86
Rot. Bonds

About 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine

8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine (PubChem CID 83398136) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
PubChem CID83398136
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
SMILESCc1cccc2c3c(sc12)CNCC3
InChIInChI=1S/C12H13NS/c1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10/h2-4,13H,5-7H2,1H3
InChIKeyJBNGHKPKQGEELV-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine (CID 83398136) is 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine is Cc1cccc2c3c(sc12)CNCC3.
What is the InChIKey of 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is JBNGHKPKQGEELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10/h2-4,13H,5-7H2,1H3.
What are the key properties of 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine?
8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 203.31 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 83398136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).