2-cyclohexylsulfanyl-1-piperidin-1-ylethanone

C13H23NOS — CID 4144687

IUPAC2-cyclohexylsulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSC1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H23NOS/c15-13(14-9-5-2-6-10-14)11-16-12-7-3-1-4-8-12/h12H,1-11H2
InChIKeyYANSHBZZIWSBHD-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.06
Rot. Bonds3

About 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone

2-cyclohexylsulfanyl-1-piperidin-1-ylethanone (PubChem CID 4144687) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-piperidin-1-ylethanone
PubChem CID4144687
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-cyclohexylsulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSC1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H23NOS/c15-13(14-9-5-2-6-10-14)11-16-12-7-3-1-4-8-12/h12H,1-11H2
InChIKeyYANSHBZZIWSBHD-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone (CID 4144687) is 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone is O=C(CSC1CCCCC1)N1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone?
The InChIKey is YANSHBZZIWSBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c15-13(14-9-5-2-6-10-14)11-16-12-7-3-1-4-8-12/h12H,1-11H2.
What are the key properties of 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone?
2-cyclohexylsulfanyl-1-piperidin-1-ylethanone has a molecular weight of 241.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 4144687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).