methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate

C10H11NO3S — CID 2808367

IUPACmethyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CC1
InChIInChI=1S/C10H11NO3S/c1-14-10(13)8-7(4-5-15-8)11-9(12)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyMBWCDOKLMGRGGO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.88
Rot. Bonds3

About methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate

methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate (PubChem CID 2808367) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate
PubChem CID2808367
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Namemethyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CC1
InChIInChI=1S/C10H11NO3S/c1-14-10(13)8-7(4-5-15-8)11-9(12)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyMBWCDOKLMGRGGO-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate (CID 2808367) is methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C1CC1.
What is the InChIKey of methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The InChIKey is MBWCDOKLMGRGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-14-10(13)8-7(4-5-15-8)11-9(12)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate has a molecular weight of 225.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropanecarbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 2808367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).