ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate

C18H32N2O5S — CID 55801599

IUPACethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC2(C(=O)OCC)CCCCC2)C1
InChIInChI=1S/C18H32N2O5S/c1-3-13-26(23,24)20-12-8-9-15(14-20)16(21)19-18(17(22)25-4-2)10-6-5-7-11-18/h15H,3-14H2,1-2H3,(H,19,21)
InChIKeyAFMHHENVGYOUEG-UHFFFAOYSA-N
MW388.53 g/mol
LogP1.82
Rot. Bonds7

About ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate

ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 55801599) has the molecular formula C18H32N2O5S and a molecular weight of 388.53 g/mol. Its IUPAC name is ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID55801599
Molecular FormulaC18H32N2O5S
Molecular Weight388.53 g/mol
Exact Mass388.20
IUPAC Nameethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC2(C(=O)OCC)CCCCC2)C1
InChIInChI=1S/C18H32N2O5S/c1-3-13-26(23,24)20-12-8-9-15(14-20)16(21)19-18(17(22)25-4-2)10-6-5-7-11-18/h15H,3-14H2,1-2H3,(H,19,21)
InChIKeyAFMHHENVGYOUEG-UHFFFAOYSA-N
XLogP1.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981314
(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941058
N-(1-cyclopropylcyclopropyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126810680
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 94101912
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 55801599) is ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate is CCCS(=O)(=O)N1CCCC(C(=O)NC2(C(=O)OCC)CCCCC2)C1.
What is the InChIKey of ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is AFMHHENVGYOUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5S/c1-3-13-26(23,24)20-12-8-9-15(14-20)16(21)19-18(17(22)25-4-2)10-6-5-7-11-18/h15H,3-14H2,1-2H3,(H,19,21).
What are the key properties of ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate?
ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 388.53 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55801599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).