N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

C16H24N2O5S2 — CID 158009034

IUPACN-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-23-12-11-18-9-7-16(8-10-18,15(19)17-20)25(21,22)14-5-3-13(24-2)4-6-14/h3-6,20H,7-12H2,1-2H3,(H,17,19)
InChIKeyQYZMELGLSDAXLN-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.17
Rot. Bonds7

About N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 158009034) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID158009034
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC NameN-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-23-12-11-18-9-7-16(8-10-18,15(19)17-20)25(21,22)14-5-3-13(24-2)4-6-14/h3-6,20H,7-12H2,1-2H3,(H,17,19)
InChIKeyQYZMELGLSDAXLN-UHFFFAOYSA-N
XLogP1.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

N-hydroxy-1-(2-methoxyethyl)-4-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 142247511
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172742819
4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 169424009
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10312074
4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 22707855
N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
CID 162334808
4-[4-[3-[3-(4-cyanophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 20620470
N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 169425374
N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyl-1-propan-2-ylpiperidine-4-carboxamide
CID 22485358
N-hydroxy-1-methyl-4-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]sulfonylpiperidine-4-carboxamide
CID 59966497
N-hydroxy-1-methylsulfonyl-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 11684850
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (CID 158009034) is N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(SC)cc2)CC1.
What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QYZMELGLSDAXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-23-12-11-18-9-7-16(8-10-18,15(19)17-20)25(21,22)14-5-3-13(24-2)4-6-14/h3-6,20H,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 158009034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).