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

C22H30Cl2N2O5S — CID 24818144

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C22H30Cl2N2O5S/c1-2-26(17-7-4-3-5-8-17)20(27)15-31-22(28)16-11-13-25(14-12-16)32(29,30)21-18(23)9-6-10-19(21)24/h6,9-10,16-17H,2-5,7-8,11-15H2,1H3
InChIKeyHBLGBOJRMOAKKZ-UHFFFAOYSA-N
MW505.46 g/mol
LogP4.12
Rot. Bonds7

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

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24818144) has the molecular formula C22H30Cl2N2O5S and a molecular weight of 505.46 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24818144
Molecular FormulaC22H30Cl2N2O5S
Molecular Weight505.46 g/mol
Exact Mass504.13
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C22H30Cl2N2O5S/c1-2-26(17-7-4-3-5-8-17)20(27)15-31-22(28)16-11-13-25(14-12-16)32(29,30)21-18(23)9-6-10-19(21)24/h6,9-10,16-17H,2-5,7-8,11-15H2,1H3
InChIKeyHBLGBOJRMOAKKZ-UHFFFAOYSA-N
XLogP4.12
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 24818144) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is HBLGBOJRMOAKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N2O5S/c1-2-26(17-7-4-3-5-8-17)20(27)15-31-22(28)16-11-13-25(14-12-16)32(29,30)21-18(23)9-6-10-19(21)24/h6,9-10,16-17H,2-5,7-8,11-15H2,1H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 505.46 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24818144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).