methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate

C14H27NO2S — CID 114121731

IUPACmethyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate
SMILESCCCCC(NC1CCCC1SCC)C(=O)OC
InChIInChI=1S/C14H27NO2S/c1-4-6-8-12(14(16)17-3)15-11-9-7-10-13(11)18-5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyJBEORPNILPIYMC-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.98
Rot. Bonds8

About methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate

methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate (PubChem CID 114121731) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate
PubChem CID114121731
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Namemethyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate
SMILESCCCCC(NC1CCCC1SCC)C(=O)OC
InChIInChI=1S/C14H27NO2S/c1-4-6-8-12(14(16)17-3)15-11-9-7-10-13(11)18-5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyJBEORPNILPIYMC-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate
CID 103254067
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate
CID 103253767
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 2-(cyclopent-3-en-1-ylamino)hexanoate
CID 103868518
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
methyl 2-[(1,1-dioxothian-3-yl)amino]hexanoate
CID 103251392
methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155
2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid
CID 106362432
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate?
The IUPAC name of methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate (CID 114121731) is methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate?
The canonical SMILES for methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate is CCCCC(NC1CCCC1SCC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate?
The InChIKey is JBEORPNILPIYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-4-6-8-12(14(16)17-3)15-11-9-7-10-13(11)18-5-2/h11-13,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate?
methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate has a molecular weight of 273.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate is sourced from PubChem (CID 114121731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).