3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid

C12H14N2O4S — CID 83192490

IUPAC3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)C2CCC(=O)NC2)sc1C(=O)O
InChIInChI=1S/C12H14N2O4S/c1-6-4-9(19-10(6)12(17)18)14-11(16)7-2-3-8(15)13-5-7/h4,7H,2-3,5H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyQJUIYUQVZCEQIJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.22
Rot. Bonds3

About 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid

3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 83192490) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID83192490
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)C2CCC(=O)NC2)sc1C(=O)O
InChIInChI=1S/C12H14N2O4S/c1-6-4-9(19-10(6)12(17)18)14-11(16)7-2-3-8(15)13-5-7/h4,7H,2-3,5H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyQJUIYUQVZCEQIJ-UHFFFAOYSA-N
XLogP1.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid (CID 83192490) is 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid is Cc1cc(NC(=O)C2CCC(=O)NC2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is QJUIYUQVZCEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-6-4-9(19-10(6)12(17)18)14-11(16)7-2-3-8(15)13-5-7/h4,7H,2-3,5H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid?
3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 83192490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).