2-amino-1-piperidin-1-ylethanethione;methylcyclohexane

C14H28N2S — CID 142937110

IUPAC2-amino-1-piperidin-1-ylethanethione;methylcyclohexane
SMILESCC1CCCCC1.NCC(=S)N1CCCCC1
InChIInChI=1S/C7H14N2S.C7H14/c8-6-7(10)9-4-2-1-3-5-9;1-7-5-3-2-4-6-7/h1-6,8H2;7H,2-6H2,1H3
InChIKeyFTLCREIBXLAMFV-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.35
Rot. Bonds1

About 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane

2-amino-1-piperidin-1-ylethanethione;methylcyclohexane (PubChem CID 142937110) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane.

Molecular Properties

Compound Name2-amino-1-piperidin-1-ylethanethione;methylcyclohexane
PubChem CID142937110
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2-amino-1-piperidin-1-ylethanethione;methylcyclohexane
SMILESCC1CCCCC1.NCC(=S)N1CCCCC1
InChIInChI=1S/C7H14N2S.C7H14/c8-6-7(10)9-4-2-1-3-5-9;1-7-5-3-2-4-6-7/h1-6,8H2;7H,2-6H2,1H3
InChIKeyFTLCREIBXLAMFV-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.35
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-amino-1-piperidin-1-ylethanethione;methylcyclohexane?
The IUPAC name of 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane (CID 142937110) is 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane.
What is the SMILES notation for 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane?
The canonical SMILES for 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane is CC1CCCCC1.NCC(=S)N1CCCCC1.
What is the InChIKey of 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane?
The InChIKey is FTLCREIBXLAMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S.C7H14/c8-6-7(10)9-4-2-1-3-5-9;1-7-5-3-2-4-6-7/h1-6,8H2;7H,2-6H2,1H3.
What are the key properties of 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane?
2-amino-1-piperidin-1-ylethanethione;methylcyclohexane has a molecular weight of 256.46 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-piperidin-1-ylethanethione;methylcyclohexane is sourced from PubChem (CID 142937110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).