N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine

C10H15NO5S — CID 117407160

IUPACN-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(S(C)(=O)=O)cc1OC
InChIInChI=1S/C10H15NO5S/c1-15-8-4-7(6-11-12)10(17(3,13)14)5-9(8)16-2/h4-5,11-12H,6H2,1-3H3
InChIKeyQSCKLEHHVCFENF-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.59
Rot. Bonds5

About N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine

N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine (PubChem CID 117407160) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
PubChem CID117407160
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC NameN-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(S(C)(=O)=O)cc1OC
InChIInChI=1S/C10H15NO5S/c1-15-8-4-7(6-11-12)10(17(3,13)14)5-9(8)16-2/h4-5,11-12H,6H2,1-3H3
InChIKeyQSCKLEHHVCFENF-UHFFFAOYSA-N
XLogP0.59
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117365232
1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
CID 116927354
N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407158
(2,5-dimethoxy-4-methylsulfonylphenyl)methylhydrazine
CID 116932374
3-(4,5-dimethoxy-2-methylsulfonylphenyl)propan-1-amine
CID 117436174
N-[[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117369713
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117346067
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
CID 117440336
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine (CID 117407160) is N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine is COc1cc(CNO)c(S(C)(=O)=O)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine?
The InChIKey is QSCKLEHHVCFENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-15-8-4-7(6-11-12)10(17(3,13)14)5-9(8)16-2/h4-5,11-12H,6H2,1-3H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine?
N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine has a molecular weight of 261.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117407160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).