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

C14H14N2O4S — CID 137199426

IUPACN-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine
SMILESCS(=O)(=O)c1ccc(COc2ccc(C=NO)nc2)cc1
InChIInChI=1S/C14H14N2O4S/c1-21(18,19)14-6-2-11(3-7-14)10-20-13-5-4-12(8-16-17)15-9-13/h2-9,17H,10H2,1H3
InChIKeyOIGJVAMFCGZCRY-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.87
Rot. Bonds5

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

N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 137199426) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID137199426
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine
SMILESCS(=O)(=O)c1ccc(COc2ccc(C=NO)nc2)cc1
InChIInChI=1S/C14H14N2O4S/c1-21(18,19)14-6-2-11(3-7-14)10-20-13-5-4-12(8-16-17)15-9-13/h2-9,17H,10H2,1H3
InChIKeyOIGJVAMFCGZCRY-UHFFFAOYSA-N
XLogP1.87
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]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-methyl-5-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62193963
1,3-dimethyl-5-[(4-methylsulfonylphenoxy)methyl]benzene
CID 23017924
4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide
CID 167474264
tert-butyl 4-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 51029601
(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
formic acid;N-methylsulfonyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]benzamide
CID 162183352
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 43806772
tert-butyl (3R,5S)-3,5-dimethyl-4-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 58190343
(4-methylsulfonylphenyl)methyl carbonochloridate
CID 87610432
5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine
CID 103058824
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine (CID 137199426) is N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine is CS(=O)(=O)c1ccc(COc2ccc(C=NO)nc2)cc1.
What is the InChIKey of N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is OIGJVAMFCGZCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-21(18,19)14-6-2-11(3-7-14)10-20-13-5-4-12(8-16-17)15-9-13/h2-9,17H,10H2,1H3.
What are the key properties of N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine?
N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 306.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylsulfonylphenyl)methoxy]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 137199426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).