5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid

C14H17NO3S — CID 75513283

IUPAC5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCN(C(=O)c1ccc(C(=O)O)s1)C(C1CC1)C1CC1
InChIInChI=1S/C14H17NO3S/c1-15(12(8-2-3-8)9-4-5-9)13(16)10-6-7-11(19-10)14(17)18/h6-9,12H,2-5H2,1H3,(H,17,18)
InChIKeyIPJIJWRRYGIHRS-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.71
Rot. Bonds5

About 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid

5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 75513283) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID75513283
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCN(C(=O)c1ccc(C(=O)O)s1)C(C1CC1)C1CC1
InChIInChI=1S/C14H17NO3S/c1-15(12(8-2-3-8)9-4-5-9)13(16)10-6-7-11(19-10)14(17)18/h6-9,12H,2-5H2,1H3,(H,17,18)
InChIKeyIPJIJWRRYGIHRS-UHFFFAOYSA-N
XLogP2.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid (CID 75513283) is 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid is CN(C(=O)c1ccc(C(=O)O)s1)C(C1CC1)C1CC1.
What is the InChIKey of 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is IPJIJWRRYGIHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-15(12(8-2-3-8)9-4-5-9)13(16)10-6-7-11(19-10)14(17)18/h6-9,12H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid?
5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dicyclopropylmethyl(methyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 75513283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).