2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

C15H20ClNOS — CID 5214920

IUPAC2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNOS/c1-2-13-5-3-4-10-17(13)15(18)11-19-14-8-6-12(16)7-9-14/h6-9,13H,2-5,10-11H2,1H3
InChIKeyMMNLRQADZIGGDE-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.22
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 5214920) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID5214920
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNOS/c1-2-13-5-3-4-10-17(13)15(18)11-19-14-8-6-12(16)7-9-14/h6-9,13H,2-5,10-11H2,1H3
InChIKeyMMNLRQADZIGGDE-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone (CID 5214920) is 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is MMNLRQADZIGGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-2-13-5-3-4-10-17(13)15(18)11-19-14-8-6-12(16)7-9-14/h6-9,13H,2-5,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 297.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5214920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).