2-(cyclohexylamino)-1-piperidin-1-ylethanethione

C13H24N2S — CID 10014539

IUPAC2-(cyclohexylamino)-1-piperidin-1-ylethanethione
SMILESS=C(CNC1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2S/c16-13(15-9-5-2-6-10-15)11-14-12-7-3-1-4-8-12/h12,14H,1-11H2
InChIKeyAGGFRZKENRYQQU-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.72
Rot. Bonds3

About 2-(cyclohexylamino)-1-piperidin-1-ylethanethione

2-(cyclohexylamino)-1-piperidin-1-ylethanethione (PubChem CID 10014539) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-piperidin-1-ylethanethione.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-piperidin-1-ylethanethione
PubChem CID10014539
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-(cyclohexylamino)-1-piperidin-1-ylethanethione
SMILESS=C(CNC1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2S/c16-13(15-9-5-2-6-10-15)11-14-12-7-3-1-4-8-12/h12,14H,1-11H2
InChIKeyAGGFRZKENRYQQU-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-piperidin-1-ylethanethione?
The IUPAC name of 2-(cyclohexylamino)-1-piperidin-1-ylethanethione (CID 10014539) is 2-(cyclohexylamino)-1-piperidin-1-ylethanethione.
What is the SMILES notation for 2-(cyclohexylamino)-1-piperidin-1-ylethanethione?
The canonical SMILES for 2-(cyclohexylamino)-1-piperidin-1-ylethanethione is S=C(CNC1CCCCC1)N1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-1-piperidin-1-ylethanethione?
The InChIKey is AGGFRZKENRYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c16-13(15-9-5-2-6-10-15)11-14-12-7-3-1-4-8-12/h12,14H,1-11H2.
What are the key properties of 2-(cyclohexylamino)-1-piperidin-1-ylethanethione?
2-(cyclohexylamino)-1-piperidin-1-ylethanethione has a molecular weight of 240.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-piperidin-1-ylethanethione is sourced from PubChem (CID 10014539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).