methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate

C11H15NO3S — CID 2809683

IUPACmethyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15NO3S/c1-11(2,3)10(14)12-7-5-6-16-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)
InChIKeyUMECWUPJPGGLTL-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.52
Rot. Bonds2

About methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate

methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate (PubChem CID 2809683) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate
PubChem CID2809683
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15NO3S/c1-11(2,3)10(14)12-7-5-6-16-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)
InChIKeyUMECWUPJPGGLTL-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-amino-2-thiophenecarboxylate
CID 89652
Methyl 3-(2-(2-thienyl)acetamido)thiophene-2-carboxylate
CID 2808202
Methyl 4-(acetylamino)-2-methyl-3-thiophenecarboxylate
CID 2808345
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 4-[(2,2-dimethylpropanoyl)amino]-2-methylthiophene-3-carboxylate
CID 2808346
Methyl 3-(methoxycarbothioylamino)thiophene-2-carboxylate
CID 2808356
Methyl 3-[(3-cyclohexylpropanoyl)amino]-2-thiophenecarboxylate
CID 903407
Methyl 3-(benzoylamino)-2-thiophenecarboxylate
CID 738341
Methyl 3-({2-[(4-bromophenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
CID 1491014
Methyl 3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate
CID 25116550
Methyl 3-[methyl(methylsulfonyl)amino]-2-thiophenecarboxylate
CID 586788
Methyl 3-[(cyclopropylcarbonyl)amino]-2-thiophenecarboxylate
CID 2808367

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate (CID 2809683) is methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C(C)(C)C.
What is the InChIKey of methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate?
The InChIKey is UMECWUPJPGGLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2,3)10(14)12-7-5-6-16-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14).
What are the key properties of methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate?
methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 2809683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).