[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate

C10H12N2O4S — CID 16524144

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1cccs1
InChIInChI=1S/C10H12N2O4S/c1-6(8(13)12-10(15)11-2)16-9(14)7-4-3-5-17-7/h3-6H,1-2H3,(H2,11,12,13,15)
InChIKeyYQLFDWDDPWHWLB-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.75
Rot. Bonds3

About [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate (PubChem CID 16524144) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
PubChem CID16524144
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1cccs1
InChIInChI=1S/C10H12N2O4S/c1-6(8(13)12-10(15)11-2)16-9(14)7-4-3-5-17-7/h3-6H,1-2H3,(H2,11,12,13,15)
InChIKeyYQLFDWDDPWHWLB-UHFFFAOYSA-N
XLogP0.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 46619463
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146722
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7887319
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 46608507
1-O-methyl 2-O-[1-(methylcarbamoylamino)-1-oxopropan-2-yl] benzene-1,2-dicarboxylate
CID 56504468
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] thiophene-2-carboxylate
CID 4597020
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 7860454
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781123
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815289
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8526457
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631521

Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate (CID 16524144) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate is CNC(=O)NC(=O)C(C)OC(=O)c1cccs1.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate?
The InChIKey is YQLFDWDDPWHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-6(8(13)12-10(15)11-2)16-9(14)7-4-3-5-17-7/h3-6H,1-2H3,(H2,11,12,13,15).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate has a molecular weight of 256.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 16524144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).