N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine

C9H13NO3S — CID 82613603

IUPACN-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCN(O)Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-10(11)7-8-5-3-4-6-9(8)14(2,12)13/h3-6,11H,7H2,1-2H3
InChIKeyLVEBKMVWLPMDBT-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.91
Rot. Bonds3

About N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine

N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine (PubChem CID 82613603) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine
PubChem CID82613603
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCN(O)Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-10(11)7-8-5-3-4-6-9(8)14(2,12)13/h3-6,11H,7H2,1-2H3
InChIKeyLVEBKMVWLPMDBT-UHFFFAOYSA-N
XLogP0.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470575
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylsulfonylbenzamide
CID 31311834
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
CID 54934964

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine?
The IUPAC name of N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine (CID 82613603) is N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine is CN(O)Cc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine?
The InChIKey is LVEBKMVWLPMDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-10(11)7-8-5-3-4-6-9(8)14(2,12)13/h3-6,11H,7H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine?
N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine has a molecular weight of 215.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 82613603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).