methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate

C14H27NO2S — CID 107756300

IUPACmethyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(SCCC(C)C)C1
InChIInChI=1S/C14H27NO2S/c1-5-15-14(13(16)17-4)8-6-12(10-14)18-9-7-11(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeySMGNRMQVYXWLCY-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.84
Rot. Bonds7

About methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate

methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate (PubChem CID 107756300) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
PubChem CID107756300
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Namemethyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(SCCC(C)C)C1
InChIInChI=1S/C14H27NO2S/c1-5-15-14(13(16)17-4)8-6-12(10-14)18-9-7-11(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeySMGNRMQVYXWLCY-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate (CID 107756300) is methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCC(SCCC(C)C)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate?
The InChIKey is SMGNRMQVYXWLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-5-15-14(13(16)17-4)8-6-12(10-14)18-9-7-11(2)3/h11-12,15H,5-10H2,1-4H3.
What are the key properties of methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate has a molecular weight of 273.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 107756300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).