(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate

C15H17Cl2NO3S — CID 55313686

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(CSc1cc(Cl)ccc1Cl)OCC(=O)N1CCCCC1
InChIInChI=1S/C15H17Cl2NO3S/c16-11-4-5-12(17)13(8-11)22-10-15(20)21-9-14(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2
InChIKeyGNQGHWUNXTZOLU-UHFFFAOYSA-N
MW362.28 g/mol
LogP3.64
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate

(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate (PubChem CID 55313686) has the molecular formula C15H17Cl2NO3S and a molecular weight of 362.28 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
PubChem CID55313686
Molecular FormulaC15H17Cl2NO3S
Molecular Weight362.28 g/mol
Exact Mass361.03
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(CSc1cc(Cl)ccc1Cl)OCC(=O)N1CCCCC1
InChIInChI=1S/C15H17Cl2NO3S/c16-11-4-5-12(17)13(8-11)22-10-15(20)21-9-14(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2
InChIKeyGNQGHWUNXTZOLU-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784829
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
2-(2,5-dichlorophenyl)sulfanyl-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 112791443
(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate
CID 23738201
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 119378981
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701712
1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone;hydrochloride
CID 119378980
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701760
methyl 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyrrolidine-3-carboxylate
CID 112733616
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(4-chlorophenyl)-4-oxobutanoate
CID 78760203

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate (CID 55313686) is (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate is O=C(CSc1cc(Cl)ccc1Cl)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate?
The InChIKey is GNQGHWUNXTZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3S/c16-11-4-5-12(17)13(8-11)22-10-15(20)21-9-14(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate?
(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate has a molecular weight of 362.28 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 55313686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).