methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate

C11H15NO4S — CID 18925408

IUPACmethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO4S/c1-11(2,3)16-10(14)12-7-5-6-17-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)
InChIKeyJEMOHNKXRFEUDT-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.88
Rot. Bonds2

About methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate (PubChem CID 18925408) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate
PubChem CID18925408
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO4S/c1-11(2,3)16-10(14)12-7-5-6-17-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)
InChIKeyJEMOHNKXRFEUDT-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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 3-(methoxycarbothioylamino)thiophene-2-carboxylate
CID 2808356
Methyl 3-[(3-cyclohexylpropanoyl)amino]-2-thiophenecarboxylate
CID 903407
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
Methyl 3-(2-chloroacetamido)thiophene-2-carboxylate
CID 736568
Methyl 3-[2-(phenylsulfanyl)acetamido]thiophene-2-carboxylate
CID 2970705
Methyl 3-(2-thienylcarbonylamino)thiophene-2-carboxylate
CID 2807638
4-{[2-(Methoxycarbonyl)-4-methyl-3-thienyl]amino}-4-oxobut-2-enoic acid
CID 5899215
Methyl 3-{[(3-methyl-2-thienyl)carbonyl]amino}-2-thiophenecarboxylate
CID 831961

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate (CID 18925408) is methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate?
The InChIKey is JEMOHNKXRFEUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-11(2,3)16-10(14)12-7-5-6-17-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14).
What are the key properties of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate?
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 18925408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).