(3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide

C25H30N4O6S — CID 87586620

About (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide

(3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide (PubChem CID 87586620) has the molecular formula C25H30N4O6S and a molecular weight of 514.60 g/mol. Its IUPAC name is (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
• PubChem CID: 87586620
• Molecular Formula: C25H30N4O6S
• Molecular Weight: 514.60 g/mol
• Exact Mass: 514.19
• IUPAC Name: (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
• SMILES: Cc1cc(COc2ccc(S(=O)(=O)N[C@H]3CCN(CCO)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
• InChI: InChI=1S/C25H30N4O6S/c1-17-14-18(21-4-2-3-5-23(21)26-17)16-35-19-6-8-20(9-7-19)36(33,34)28-24-10-11-29(12-13-30)15-22(24)25(31)27-32/h2-9,14,22,24,28,30,32H,10-13,15-16H2,1H3,(H,27,31)/t22-,24-/m0/s1
• InChIKey: DOHWRPLJKFZNPW-UPVQGACJSA-N
• XLogP: 1.59
• TPSA: 141.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.60
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?

The IUPAC name of (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide (CID 87586620) is (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide.

What is the SMILES notation for (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?

The canonical SMILES for (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@H]3CCN(CCO)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.

What is the InChIKey of (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?

The InChIKey is DOHWRPLJKFZNPW-UPVQGACJSA-N. The full InChI is InChI=1S/C25H30N4O6S/c1-17-14-18(21-4-2-3-5-23(21)26-17)16-35-19-6-8-20(9-7-19)36(33,34)28-24-10-11-29(12-13-30)15-22(24)25(31)27-32/h2-9,14,22,24,28,30,32H,10-13,15-16H2,1H3,(H,27,31)/t22-,24-/m0/s1.

What are the key properties of (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?

(3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide has a molecular weight of 514.60 g/mol, XLogP of 1.59, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide is sourced from PubChem (CID 87586620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).