(3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide

C21H27N3O6S — CID 57264071

IUPAC(3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide
SMILESCc1ncccc1COc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C21H27N3O6S/c1-14-12-24(19(20(25)23-26)21(3,4)30-14)31(27,28)18-9-7-17(8-10-18)29-13-16-6-5-11-22-15(16)2/h5-11,14,19,26H,12-13H2,1-4H3,(H,23,25)/t14-,19-/m0/s1
InChIKeyHHTGGWSSUVIISP-LIRRHRJNSA-N
MW449.53 g/mol
LogP2.03
Rot. Bonds6

About (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide

(3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide (PubChem CID 57264071) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide
PubChem CID57264071
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name(3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide
SMILESCc1ncccc1COc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C21H27N3O6S/c1-14-12-24(19(20(25)23-26)21(3,4)30-14)31(27,28)18-9-7-17(8-10-18)29-13-16-6-5-11-22-15(16)2/h5-11,14,19,26H,12-13H2,1-4H3,(H,23,25)/t14-,19-/m0/s1
InChIKeyHHTGGWSSUVIISP-LIRRHRJNSA-N
XLogP2.03
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.03
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-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide
CID 76501215
[(3R,6S)-2,2,6-trimethyl-4-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholin-3-yl] N-hydroxycarbamate
CID 87963227
2,2,6-trimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylmorpholine-3-carboxylic acid
CID 22464311
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
CID 22182512
N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
CID 54555315
4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
CID 18333793
[(2S,3R,6S)-2,6-dimethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylmorpholin-3-yl] N-hydroxycarbamate
CID 87961795
(2R,3S)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxy-3-methylpiperidine-2-carboxamide
CID 10182521
(2R,5R)-1-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
CID 58619815
4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethylmorpholine-3-carboxylic acid
CID 22464316
(3S,4S)-4-(hydroxycarbamoyl)-3-[[4-[(2-methyl-3-pyridinyl)methoxy]benzoyl]amino]piperidine-1-carboxylic acid
CID 87907224
1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712324

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide?
The IUPAC name of (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide (CID 57264071) is (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide?
The canonical SMILES for (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide is Cc1ncccc1COc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide?
The InChIKey is HHTGGWSSUVIISP-LIRRHRJNSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-14-12-24(19(20(25)23-26)21(3,4)30-14)31(27,28)18-9-7-17(8-10-18)29-13-16-6-5-11-22-15(16)2/h5-11,14,19,26H,12-13H2,1-4H3,(H,23,25)/t14-,19-/m0/s1.
What are the key properties of (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide?
(3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 57264071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).