ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate

C15H28N2O2S — CID 103926013

IUPACethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCC(SCC)C2)CC1
InChIInChI=1S/C15H28N2O2S/c1-3-19-15(18)17-9-7-12(8-10-17)16-13-5-6-14(11-13)20-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyVIYVGBQFHXQAEC-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.87
Rot. Bonds5

About ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate (PubChem CID 103926013) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate
PubChem CID103926013
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Nameethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCC(SCC)C2)CC1
InChIInChI=1S/C15H28N2O2S/c1-3-19-15(18)17-9-7-12(8-10-17)16-13-5-6-14(11-13)20-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyVIYVGBQFHXQAEC-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(1R,3S)-3-ethylsulfanylcyclohexyl]amino]piperidine-1-carboxylate
CID 97056311
4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxamide
CID 103787245
ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 97337654
3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine
CID 104871846
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
CID 60899589

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate (CID 103926013) is ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCC(SCC)C2)CC1.
What is the InChIKey of ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate?
The InChIKey is VIYVGBQFHXQAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-3-19-15(18)17-9-7-12(8-10-17)16-13-5-6-14(11-13)20-4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 103926013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).