5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C13H18N2O3S — CID 58157594

IUPAC5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCc2sc(C(=O)NO)cc2C1
InChIInChI=1S/C13H18N2O3S/c1-13(2,3)12(17)15-5-4-9-8(7-15)6-10(19-9)11(16)14-18/h6,18H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyYTBGWLMWKANIBG-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.80
Rot. Bonds1

About 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 58157594) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID58157594
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCc2sc(C(=O)NO)cc2C1
InChIInChI=1S/C13H18N2O3S/c1-13(2,3)12(17)15-5-4-9-8(7-15)6-10(19-9)11(16)14-18/h6,18H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyYTBGWLMWKANIBG-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 58157594) is 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CC(C)(C)C(=O)N1CCc2sc(C(=O)NO)cc2C1.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is YTBGWLMWKANIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-13(2,3)12(17)15-5-4-9-8(7-15)6-10(19-9)11(16)14-18/h6,18H,4-5,7H2,1-3H3,(H,14,16).
What are the key properties of 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).