2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

C15H27NOS — CID 5203813

IUPAC2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CSC1CCCCC1
InChIInChI=1S/C15H27NOS/c1-2-13-8-6-7-11-16(13)15(17)12-18-14-9-4-3-5-10-14/h13-14H,2-12H2,1H3
InChIKeySHTILZXRCGQERA-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.84
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 5203813) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID5203813
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CSC1CCCCC1
InChIInChI=1S/C15H27NOS/c1-2-13-8-6-7-11-16(13)15(17)12-18-14-9-4-3-5-10-14/h13-14H,2-12H2,1H3
InChIKeySHTILZXRCGQERA-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone (CID 5203813) is 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CSC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is SHTILZXRCGQERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-2-13-8-6-7-11-16(13)15(17)12-18-14-9-4-3-5-10-14/h13-14H,2-12H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 269.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5203813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).