1-methyl-3,6-dihydro-2H-pyridine-5-thiol

C6H11NS — CID 134439423

IUPAC1-methyl-3,6-dihydro-2H-pyridine-5-thiol
SMILESCN1CCC=C(S)C1
InChIInChI=1S/C6H11NS/c1-7-4-2-3-6(8)5-7/h3,8H,2,4-5H2,1H3
InChIKeyVANUKJOSGGWIGR-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.14
Rot. Bonds

About 1-methyl-3,6-dihydro-2H-pyridine-5-thiol

1-methyl-3,6-dihydro-2H-pyridine-5-thiol (PubChem CID 134439423) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-5-thiol.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine-5-thiol
PubChem CID134439423
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-5-thiol
SMILESCN1CCC=C(S)C1
InChIInChI=1S/C6H11NS/c1-7-4-2-3-6(8)5-7/h3,8H,2,4-5H2,1H3
InChIKeyVANUKJOSGGWIGR-UHFFFAOYSA-N
XLogP1.14
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-thiol?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-thiol (CID 134439423) is 1-methyl-3,6-dihydro-2H-pyridine-5-thiol.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-5-thiol?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-5-thiol is CN1CCC=C(S)C1.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-5-thiol?
The InChIKey is VANUKJOSGGWIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-7-4-2-3-6(8)5-7/h3,8H,2,4-5H2,1H3.
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-5-thiol?
1-methyl-3,6-dihydro-2H-pyridine-5-thiol has a molecular weight of 129.23 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-5-thiol is sourced from PubChem (CID 134439423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).