ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate

C16H30N2O3S — CID 84593584

IUPACethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCCC2S(=O)CC)CC1
InChIInChI=1S/C16H30N2O3S/c1-3-21-16(19)18-11-9-13(10-12-18)17-14-7-5-6-8-15(14)22(20)4-2/h13-15,17H,3-12H2,1-2H3
InChIKeyPEMAWLRRVRKORY-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.28
Rot. Bonds5

About ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate (PubChem CID 84593584) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
PubChem CID84593584
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Nameethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCCC2S(=O)CC)CC1
InChIInChI=1S/C16H30N2O3S/c1-3-21-16(19)18-11-9-13(10-12-18)17-14-7-5-6-8-15(14)22(20)4-2/h13-15,17H,3-12H2,1-2H3
InChIKeyPEMAWLRRVRKORY-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
CID 65046809
ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
CID 43792537
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
CID 60899589
ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 97337654
(3S)-N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 124856064
ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 99851619
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate (CID 84593584) is ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCCCC2S(=O)CC)CC1.
What is the InChIKey of ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate?
The InChIKey is PEMAWLRRVRKORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-3-21-16(19)18-11-9-13(10-12-18)17-14-7-5-6-8-15(14)22(20)4-2/h13-15,17H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate has a molecular weight of 330.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 84593584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).