5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol

C6H12N2S — CID 88570766

IUPAC5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol
SMILESCNC1=C(S)CCNC1
InChIInChI=1S/C6H12N2S/c1-7-5-4-8-3-2-6(5)9/h7-9H,2-4H2,1H3
InChIKeyREXFBAMDTNTMIO-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.34
Rot. Bonds1

About 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol

5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol (PubChem CID 88570766) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol.

Molecular Properties

Compound Name5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol
PubChem CID88570766
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol
SMILESCNC1=C(S)CCNC1
InChIInChI=1S/C6H12N2S/c1-7-5-4-8-3-2-6(5)9/h7-9H,2-4H2,1H3
InChIKeyREXFBAMDTNTMIO-UHFFFAOYSA-N
XLogP0.34
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol?
The IUPAC name of 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol (CID 88570766) is 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol.
What is the SMILES notation for 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol?
The canonical SMILES for 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol is CNC1=C(S)CCNC1.
What is the InChIKey of 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol?
The InChIKey is REXFBAMDTNTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-7-5-4-8-3-2-6(5)9/h7-9H,2-4H2,1H3.
What are the key properties of 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol?
5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol has a molecular weight of 144.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1,2,3,6-tetrahydropyridine-4-thiol is sourced from PubChem (CID 88570766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).