methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate

C12H23NO3S — CID 79653590

IUPACmethyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(SCCOC)C1
InChIInChI=1S/C12H23NO3S/c1-4-13-12(11(14)16-3)6-5-10(9-12)17-8-7-15-2/h10,13H,4-9H2,1-3H3
InChIKeyJCHGPWYNJVWLPR-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.44
Rot. Bonds7

About methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate

methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate (PubChem CID 79653590) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate
PubChem CID79653590
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Namemethyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(SCCOC)C1
InChIInChI=1S/C12H23NO3S/c1-4-13-12(11(14)16-3)6-5-10(9-12)17-8-7-15-2/h10,13H,4-9H2,1-3H3
InChIKeyJCHGPWYNJVWLPR-UHFFFAOYSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.44
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 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
CID 107756300
1-(ethylamino)-3-(3-methoxypropylsulfanyl)cyclopentane-1-carboxylic acid
CID 79656319
methyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79635796
ethyl 1-(ethylamino)-3-pentylsulfanylcyclopentane-1-carboxylate
CID 107755552
ethyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclopentane-1-carboxylate
CID 79656004
methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79655587
methyl 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79634851
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
methyl 3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylate
CID 79654313

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate (CID 79653590) is methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCC(SCCOC)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate?
The InChIKey is JCHGPWYNJVWLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-4-13-12(11(14)16-3)6-5-10(9-12)17-8-7-15-2/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate has a molecular weight of 261.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79653590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).