2-methylsulfanyl-1-piperidin-4-ylethanimine

C8H16N2S — CID 123203720

IUPAC2-methylsulfanyl-1-piperidin-4-ylethanimine
SMILES[H]/N=C(\CSC)C1CCNCC1
InChIInChI=1S/C8H16N2S/c1-11-6-8(9)7-2-4-10-5-3-7/h7,9-10H,2-6H2,1H3/b9-8+
InChIKeyVFHVFYYNEMNZON-CMDGGOBGSA-N
MW172.30 g/mol
LogP1.37
Rot. Bonds3

About 2-methylsulfanyl-1-piperidin-4-ylethanimine

2-methylsulfanyl-1-piperidin-4-ylethanimine (PubChem CID 123203720) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-methylsulfanyl-1-piperidin-4-ylethanimine.

Molecular Properties

Compound Name2-methylsulfanyl-1-piperidin-4-ylethanimine
PubChem CID123203720
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-methylsulfanyl-1-piperidin-4-ylethanimine
SMILES[H]/N=C(\CSC)C1CCNCC1
InChIInChI=1S/C8H16N2S/c1-11-6-8(9)7-2-4-10-5-3-7/h7,9-10H,2-6H2,1H3/b9-8+
InChIKeyVFHVFYYNEMNZON-CMDGGOBGSA-N
XLogP1.37
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-4-yl)-2-methylsulfanylethanone
CID 115017399
1-[(3R)-pyrrolidin-3-yl]ethanimine
CID 142640278
2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine
CID 174639777
1-(4-piperidin-4-ylcyclohexyl)ethanimine
CID 90931366
1-piperidin-4-yl-N-[2-(1-piperidin-4-ylethylideneamino)ethyl]ethanimine
CID 5232465
N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide
CID 166705160
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438
1-piperidin-4-ylethanone
CID 2723764
N-[(Z)-ethylideneamino]-1-piperidin-4-ylpiperidine-4-carboximidamide
CID 176542314
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide
CID 114125387
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
4-[(E)-but-2-en-2-yl]piperidine
CID 134286079

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-piperidin-4-ylethanimine?
The IUPAC name of 2-methylsulfanyl-1-piperidin-4-ylethanimine (CID 123203720) is 2-methylsulfanyl-1-piperidin-4-ylethanimine.
What is the SMILES notation for 2-methylsulfanyl-1-piperidin-4-ylethanimine?
The canonical SMILES for 2-methylsulfanyl-1-piperidin-4-ylethanimine is [H]/N=C(\CSC)C1CCNCC1.
What is the InChIKey of 2-methylsulfanyl-1-piperidin-4-ylethanimine?
The InChIKey is VFHVFYYNEMNZON-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2S/c1-11-6-8(9)7-2-4-10-5-3-7/h7,9-10H,2-6H2,1H3/b9-8+.
What are the key properties of 2-methylsulfanyl-1-piperidin-4-ylethanimine?
2-methylsulfanyl-1-piperidin-4-ylethanimine has a molecular weight of 172.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-piperidin-4-ylethanimine is sourced from PubChem (CID 123203720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).