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

C10H15NO4S — CID 117365232

IUPACN-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C10H15NO4S/c1-7-4-10(16(3,13)14)8(6-11-12)5-9(7)15-2/h4-5,11-12H,6H2,1-3H3
InChIKeyZBFZVUTYLCAROF-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.89
Rot. Bonds4

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

N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine (PubChem CID 117365232) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
PubChem CID117365232
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameN-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C10H15NO4S/c1-7-4-10(16(3,13)14)8(6-11-12)5-9(7)15-2/h4-5,11-12H,6H2,1-3H3
InChIKeyZBFZVUTYLCAROF-UHFFFAOYSA-N
XLogP0.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5-methoxy-4-methyl-2-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-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407160
3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)propanal
CID 117394385
3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)propan-1-amine
CID 117397136
N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407158
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
CID 116927354
2-(4,5-dimethyl-2-methylsulfonylphenyl)acetic acid
CID 117357836
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid
CID 117438166
(2,5-dimethoxy-4-methylsulfonylphenyl)methylhydrazine
CID 116932374
N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
CID 110783168
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine (CID 117365232) is N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine is COc1cc(CNO)c(S(C)(=O)=O)cc1C.
What is the InChIKey of N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine?
The InChIKey is ZBFZVUTYLCAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-7-4-10(16(3,13)14)8(6-11-12)5-9(7)15-2/h4-5,11-12H,6H2,1-3H3.
What are the key properties of N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine?
N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine has a molecular weight of 245.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117365232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).