2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one

C14H25NOS — CID 13418412

IUPAC2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CSCCN1CCCCC1
InChIInChI=1S/C14H25NOS/c16-14-7-3-2-6-13(14)12-17-11-10-15-8-4-1-5-9-15/h13H,1-12H2
InChIKeyLVCNNYLOFLMCLV-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one

2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one (PubChem CID 13418412) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one
PubChem CID13418412
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CSCCN1CCCCC1
InChIInChI=1S/C14H25NOS/c16-14-7-3-2-6-13(14)12-17-11-10-15-8-4-1-5-9-15/h13H,1-12H2
InChIKeyLVCNNYLOFLMCLV-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one (CID 13418412) is 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one is O=C1CCCCC1CSCCN1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one?
The InChIKey is LVCNNYLOFLMCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c16-14-7-3-2-6-13(14)12-17-11-10-15-8-4-1-5-9-15/h13H,1-12H2.
What are the key properties of 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one?
2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one has a molecular weight of 255.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfanylmethyl)cyclohexan-1-one is sourced from PubChem (CID 13418412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).