(3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide

C12H16N2O6S — CID 22888145

IUPAC(3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)[C@@H]2CCCON2C(=O)NO)cc1
InChIInChI=1S/C12H16N2O6S/c1-19-9-4-6-10(7-5-9)21(17,18)11-3-2-8-20-14(11)12(15)13-16/h4-7,11,16H,2-3,8H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyRXDCLXDBKZLKQN-LLVKDONJSA-N
MW316.34 g/mol
LogP0.92
Rot. Bonds3

About (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide

(3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide (PubChem CID 22888145) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide
PubChem CID22888145
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name(3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)[C@@H]2CCCON2C(=O)NO)cc1
InChIInChI=1S/C12H16N2O6S/c1-19-9-4-6-10(7-5-9)21(17,18)11-3-2-8-20-14(11)12(15)13-16/h4-7,11,16H,2-3,8H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyRXDCLXDBKZLKQN-LLVKDONJSA-N
XLogP0.92
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carboxylic acid
CID 67614163
N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591979
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide
CID 91170376
oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557079
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 147806045

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide?
The IUPAC name of (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide (CID 22888145) is (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide is COc1ccc(S(=O)(=O)[C@@H]2CCCON2C(=O)NO)cc1.
What is the InChIKey of (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide?
The InChIKey is RXDCLXDBKZLKQN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-19-9-4-6-10(7-5-9)21(17,18)11-3-2-8-20-14(11)12(15)13-16/h4-7,11,16H,2-3,8H2,1H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide?
(3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyloxazinane-2-carboxamide is sourced from PubChem (CID 22888145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).