[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

C19H24Cl2N2O7S2 — CID 24982251

IUPAC[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24Cl2N2O7S2/c1-22(14-7-10-31(26,27)12-14)17(24)11-30-19(25)13-5-8-23(9-6-13)32(28,29)18-15(20)3-2-4-16(18)21/h2-4,13-14H,5-12H2,1H3
InChIKeyRDWAOZLACONENR-UHFFFAOYSA-N
MW527.45 g/mol
LogP1.58
Rot. Bonds6

About [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24982251) has the molecular formula C19H24Cl2N2O7S2 and a molecular weight of 527.45 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24982251
Molecular FormulaC19H24Cl2N2O7S2
Molecular Weight527.45 g/mol
Exact Mass526.04
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24Cl2N2O7S2/c1-22(14-7-10-31(26,27)12-14)17(24)11-30-19(25)13-5-8-23(9-6-13)32(28,29)18-15(20)3-2-4-16(18)21/h2-4,13-14H,5-12H2,1H3
InChIKeyRDWAOZLACONENR-UHFFFAOYSA-N
XLogP1.58
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((1,1-Dioxidotetrahydrothiophen-3-yl)(methyl)amino)-2-oxoethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate
CID 4846506
Ethyl 4-[2-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]oxyacetyl]piperazine-1-carboxylate
CID 24980656
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24981796
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24979349
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 25162421
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24818325
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24980218
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24816790
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24818144
Methyl 1-[2-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
CID 24981865
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24982720
[1-[(1,1-Dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 24650270

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 24982251) is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is RDWAOZLACONENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O7S2/c1-22(14-7-10-31(26,27)12-14)17(24)11-30-19(25)13-5-8-23(9-6-13)32(28,29)18-15(20)3-2-4-16(18)21/h2-4,13-14H,5-12H2,1H3.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 527.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24982251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).