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

C14H26N2O4S — CID 65046809

IUPACethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C14H26N2O4S/c1-3-20-14(17)16-9-7-11(8-10-16)15-12-5-4-6-13(12)21(2,18)19/h11-13,15H,3-10H2,1-2H3
InChIKeyBQQATTVWOCAEOW-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.16
Rot. Bonds4

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

ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate (PubChem CID 65046809) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
PubChem CID65046809
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Nameethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C14H26N2O4S/c1-3-20-14(17)16-9-7-11(8-10-16)15-12-5-4-6-13(12)21(2,18)19/h11-13,15H,3-10H2,1-2H3
InChIKeyBQQATTVWOCAEOW-UHFFFAOYSA-N
XLogP1.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone
CID 65044493
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
CID 84593584
ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
CID 43792537
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
CID 60899589
N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine
CID 115910643
2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
CID 97056288
ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
ethyl 4-[[(1R,3S)-3-ethylsulfanylcyclohexyl]amino]piperidine-1-carboxylate
CID 97056311
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate (CID 65046809) is ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCCC2S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate?
The InChIKey is BQQATTVWOCAEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-20-14(17)16-9-7-11(8-10-16)15-12-5-4-6-13(12)21(2,18)19/h11-13,15H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate has a molecular weight of 318.44 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 65046809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).