methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate

C11H13NO3S — CID 75417382

IUPACmethyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)C2CC2)s1
InChIInChI=1S/C11H13NO3S/c1-12(7-3-4-7)10(13)8-5-6-9(16-8)11(14)15-2/h5-7H,3-4H2,1-2H3
InChIKeyVQZRMIRHRDIMNA-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.77
Rot. Bonds3

About methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate

methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate (PubChem CID 75417382) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate
PubChem CID75417382
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Namemethyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)C2CC2)s1
InChIInChI=1S/C11H13NO3S/c1-12(7-3-4-7)10(13)8-5-6-9(16-8)11(14)15-2/h5-7H,3-4H2,1-2H3
InChIKeyVQZRMIRHRDIMNA-UHFFFAOYSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate (CID 75417382) is methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N(C)C2CC2)s1.
What is the InChIKey of methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate?
The InChIKey is VQZRMIRHRDIMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-12(7-3-4-7)10(13)8-5-6-9(16-8)11(14)15-2/h5-7H,3-4H2,1-2H3.
What are the key properties of methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate?
methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 75417382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).