N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine

C10H15NO5S — CID 117407158

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

About N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine

N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine (PubChem CID 117407158) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
PubChem CID117407158
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC NameN-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO5S/c1-15-8-4-7(6-11-12)10(16-2)9(5-8)17(3,13)14/h4-5,11-12H,6H2,1-3H3
InChIKeyIHIHEEWSOZROJY-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'}

Analyze N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117351391
N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407160
N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117365232
1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol
CID 117404933
2-(2,5-dimethoxy-3-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117468875
2-(2,5-dimethoxy-3-methylsulfonylphenyl)propanoic acid
CID 117465732
3-amino-3-(2,5-dimethoxy-3-methylsulfonylphenyl)propanoic acid
CID 117488381
1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117482413
2-chloro-6-[(hydroxyamino)methyl]-4-methoxyphenol
CID 117292196
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117346067
6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde
CID 117366491
3-(4-methoxy-2-methylsulfonylphenyl)propanoic acid
CID 84806000

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine (CID 117407158) is N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine is COc1cc(CNO)c(OC)c(S(C)(=O)=O)c1.
What is the InChIKey of N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine?
The InChIKey is IHIHEEWSOZROJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-15-8-4-7(6-11-12)10(16-2)9(5-8)17(3,13)14/h4-5,11-12H,6H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine?
N-[(2,5-dimethoxy-3-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-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117407158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).