methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate

C13H19NO2S2 — CID 79587263

IUPACmethyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCSc1cccs1
InChIInChI=1S/C13H19NO2S2/c1-16-12(15)13(14)7-2-4-10(13)6-9-18-11-5-3-8-17-11/h3,5,8,10H,2,4,6-7,9,14H2,1H3
InChIKeyJJVRIHJZHSXNLP-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.90
Rot. Bonds5

About methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate

methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate (PubChem CID 79587263) has the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate
PubChem CID79587263
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Exact Mass285.09
IUPAC Namemethyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCSc1cccs1
InChIInChI=1S/C13H19NO2S2/c1-16-12(15)13(14)7-2-4-10(13)6-9-18-11-5-3-8-17-11/h3,5,8,10H,2,4,6-7,9,14H2,1H3
InChIKeyJJVRIHJZHSXNLP-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-amino-2-[2-(4-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79588025
methyl 1-amino-2-[2-(3-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79586985
methyl 1-amino-2-[2-(3,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79587544
[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581651
methyl 1-amino-2-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 115383581
methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79582997
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573302
methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571290
methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
CID 79572538
ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79557657
methyl 2-[2-(3-bromophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79555805

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate (CID 79587263) is methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCSc1cccs1.
What is the InChIKey of methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate?
The InChIKey is JJVRIHJZHSXNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S2/c1-16-12(15)13(14)7-2-4-10(13)6-9-18-11-5-3-8-17-11/h3,5,8,10H,2,4,6-7,9,14H2,1H3.
What are the key properties of methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate?
methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79587263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).