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

C15H20N2O3S — CID 58157631

IUPAC5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H20N2O3S/c18-14(16-20)13-8-11-9-17(7-6-12(11)21-13)15(19)10-4-2-1-3-5-10/h8,10,20H,1-7,9H2,(H,16,18)
InChIKeyDVCYFDNJHMXXGW-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.33
Rot. Bonds2

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

5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 58157631) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID58157631
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H20N2O3S/c18-14(16-20)13-8-11-9-17(7-6-12(11)21-13)15(19)10-4-2-1-3-5-10/h8,10,20H,1-7,9H2,(H,16,18)
InChIKeyDVCYFDNJHMXXGW-UHFFFAOYSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.33
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-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 58157631) is 5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is O=C(NO)c1cc2c(s1)CCN(C(=O)C1CCCCC1)C2.
What is the InChIKey of 5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is DVCYFDNJHMXXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-14(16-20)13-8-11-9-17(7-6-12(11)21-13)15(19)10-4-2-1-3-5-10/h8,10,20H,1-7,9H2,(H,16,18).
What are the key properties of 5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).