methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate

C11H15NO3S2 — CID 69098612

IUPACmethyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate
SMILESCOC(=O)[C@H](CSc1cccs1)N(C)C(C)=O
InChIInChI=1S/C11H15NO3S2/c1-8(13)12(2)9(11(14)15-3)7-17-10-5-4-6-16-10/h4-6,9H,7H2,1-3H3/t9-/m0/s1
InChIKeyUQRJJIXPGMGXLK-VIFPVBQESA-N
MW273.38 g/mol
LogP1.86
Rot. Bonds5

About methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate

methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate (PubChem CID 69098612) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate
PubChem CID69098612
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Namemethyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate
SMILESCOC(=O)[C@H](CSc1cccs1)N(C)C(C)=O
InChIInChI=1S/C11H15NO3S2/c1-8(13)12(2)9(11(14)15-3)7-17-10-5-4-6-16-10/h4-6,9H,7H2,1-3H3/t9-/m0/s1
InChIKeyUQRJJIXPGMGXLK-VIFPVBQESA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-Thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257981
2-Acetamido-3-thiophen-2-ylsulfanylpropanoic acid
CID 17897226
(2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid
CID 54346081
(2R)-2-[methoxycarbonyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoic acid
CID 69098709
2-[Methoxycarbonyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoic acid
CID 69098710
Methyl 2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate
CID 71089159
Ethyl 2-acetamidoacetate;thiophene
CID 174681300
2-[(2-Thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 43355329
2-[Methyl-(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
CID 43356283
3-(2-Thiophen-2-ylsulfanylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359412
Methyl 3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoate
CID 43431029
Diethyl 2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanedioate
CID 43431033

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate?
The IUPAC name of methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate (CID 69098612) is methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate.
What is the SMILES notation for methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate?
The canonical SMILES for methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate is COC(=O)[C@H](CSc1cccs1)N(C)C(C)=O.
What is the InChIKey of methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate?
The InChIKey is UQRJJIXPGMGXLK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-8(13)12(2)9(11(14)15-3)7-17-10-5-4-6-16-10/h4-6,9H,7H2,1-3H3/t9-/m0/s1.
What are the key properties of methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate?
methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate has a molecular weight of 273.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate is sourced from PubChem (CID 69098612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).