1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione

C8H14N2S — CID 126628305

IUPAC1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione
SMILESCNC1=C(C(C)=S)NCCC1
InChIInChI=1S/C8H14N2S/c1-6(11)8-7(9-2)4-3-5-10-8/h9-10H,3-5H2,1-2H3
InChIKeyJZTWXZXCKVKUNV-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.19
Rot. Bonds2

About 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione

1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione (PubChem CID 126628305) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione.

Molecular Properties

Compound Name1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione
PubChem CID126628305
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione
SMILESCNC1=C(C(C)=S)NCCC1
InChIInChI=1S/C8H14N2S/c1-6(11)8-7(9-2)4-3-5-10-8/h9-10H,3-5H2,1-2H3
InChIKeyJZTWXZXCKVKUNV-UHFFFAOYSA-N
XLogP1.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione?
The IUPAC name of 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione (CID 126628305) is 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione.
What is the SMILES notation for 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione?
The canonical SMILES for 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione is CNC1=C(C(C)=S)NCCC1.
What is the InChIKey of 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione?
The InChIKey is JZTWXZXCKVKUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(11)8-7(9-2)4-3-5-10-8/h9-10H,3-5H2,1-2H3.
What are the key properties of 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione?
1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione has a molecular weight of 170.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylamino)-1,2,3,4-tetrahydropyridin-6-yl]ethanethione is sourced from PubChem (CID 126628305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).