ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate

C12H19NO2S2 — CID 64712183

IUPACethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)Sc1cccs1
InChIInChI=1S/C12H19NO2S2/c1-4-15-11(14)12(3,13)8-9(2)17-10-6-5-7-16-10/h5-7,9H,4,8,13H2,1-3H3
InChIKeyYOHOUNJJHZKDMM-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.90
Rot. Bonds6

About ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate

ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate (PubChem CID 64712183) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate
PubChem CID64712183
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Nameethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)Sc1cccs1
InChIInChI=1S/C12H19NO2S2/c1-4-15-11(14)12(3,13)8-9(2)17-10-6-5-7-16-10/h5-7,9H,4,8,13H2,1-3H3
InChIKeyYOHOUNJJHZKDMM-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-thiophen-2-ylsulfanylbutanoate
CID 64661658
ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
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2-[(2S)-butan-2-yl]sulfanylthiophene
CID 89122667
ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate
CID 64709276
ethyl 2-amino-4-[(4-chlorophenyl)methylsulfanyl]-2-methylpentanoate
CID 114791838
methyl 2-amino-2-methyl-4-(4-methylphenyl)sulfanylpentanoate
CID 64709686
ethyl 2-methyl-2-thiophen-2-ylpropanoate
CID 21099804
2-thiophen-2-ylsulfanylpentan-3-one
CID 64866095
diethyl 2-(2-methylpropyl)-2-(thiophen-2-ylmethyl)propanedioate
CID 103972795
methyl 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylpentanoate
CID 107782174
ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
CID 64707450
ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate?
The IUPAC name of ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate (CID 64712183) is ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate is CCOC(=O)C(C)(N)CC(C)Sc1cccs1.
What is the InChIKey of ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate?
The InChIKey is YOHOUNJJHZKDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-4-15-11(14)12(3,13)8-9(2)17-10-6-5-7-16-10/h5-7,9H,4,8,13H2,1-3H3.
What are the key properties of ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate?
ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate has a molecular weight of 273.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate is sourced from PubChem (CID 64712183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).