[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

C21H28Cl2N2O5S — CID 24980218

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C21H28Cl2N2O5S/c1-24(16-6-3-2-4-7-16)19(26)14-30-21(27)15-10-12-25(13-11-15)31(28,29)20-17(22)8-5-9-18(20)23/h5,8-9,15-16H,2-4,6-7,10-14H2,1H3
InChIKeyGRWIHHCYWJTFJO-UHFFFAOYSA-N
MW491.44 g/mol
LogP3.73
Rot. Bonds6

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24980218) has the molecular formula C21H28Cl2N2O5S and a molecular weight of 491.44 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24980218
Molecular FormulaC21H28Cl2N2O5S
Molecular Weight491.44 g/mol
Exact Mass490.11
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C21H28Cl2N2O5S/c1-24(16-6-3-2-4-7-16)19(26)14-30-21(27)15-10-12-25(13-11-15)31(28,29)20-17(22)8-5-9-18(20)23/h5,8-9,15-16H,2-4,6-7,10-14H2,1H3
InChIKeyGRWIHHCYWJTFJO-UHFFFAOYSA-N
XLogP3.73
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
Ethyl 1-({1-[(2,5-dichlorophenyl)sulfonyl]-4-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 2940327
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24818325
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24819864
1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 24820061
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24982251
[2-(N-methylanilino)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24982952
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24816790

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 24980218) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is GRWIHHCYWJTFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Cl2N2O5S/c1-24(16-6-3-2-4-7-16)19(26)14-30-21(27)15-10-12-25(13-11-15)31(28,29)20-17(22)8-5-9-18(20)23/h5,8-9,15-16H,2-4,6-7,10-14H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 491.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24980218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).