methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate

C14H27NO3S — CID 79586684

IUPACmethyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCSCCOC
InChIInChI=1S/C14H27NO3S/c1-4-15-14(13(16)18-3)8-5-6-12(14)7-10-19-11-9-17-2/h12,15H,4-11H2,1-3H3
InChIKeyRAKACUCXHKPRFZ-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.08
Rot. Bonds9

About methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate

methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79586684) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate
PubChem CID79586684
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Namemethyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCSCCOC
InChIInChI=1S/C14H27NO3S/c1-4-15-14(13(16)18-3)8-5-6-12(14)7-10-19-11-9-17-2/h12,15H,4-11H2,1-3H3
InChIKeyRAKACUCXHKPRFZ-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(2-methoxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
CID 79586956
1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79586535
methyl 1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564764
[1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol
CID 79580965
methyl 1-(ethylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 79577741
methyl 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79577097
methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79573398
methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate
CID 103284971
methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79582767
methyl 1-(ethylamino)-2-[2-[methyl(pentyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565199
methyl 1-(ethylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603829

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate (CID 79586684) is methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCCC1CCSCCOC.
What is the InChIKey of methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is RAKACUCXHKPRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-4-15-14(13(16)18-3)8-5-6-12(14)7-10-19-11-9-17-2/h12,15H,4-11H2,1-3H3.
What are the key properties of methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 289.44 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79586684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).