2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine

C19H20N4O3S — CID 132966836

IUPAC2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
SMILESCc1ccc(S(=O)(=O)N2C=C(Cc3ccccc3)OC(CN=[N+]=[N-])C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-15-7-9-19(10-8-15)27(24,25)23-13-17(11-16-5-3-2-4-6-16)26-18(14-23)12-21-22-20/h2-10,13,18H,11-12,14H2,1H3
InChIKeySKLVBQIOHNRHEU-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.78
Rot. Bonds6

About 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine

2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine (PubChem CID 132966836) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
PubChem CID132966836
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
SMILESCc1ccc(S(=O)(=O)N2C=C(Cc3ccccc3)OC(CN=[N+]=[N-])C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-15-7-9-19(10-8-15)27(24,25)23-13-17(11-16-5-3-2-4-6-16)26-18(14-23)12-21-22-20/h2-10,13,18H,11-12,14H2,1H3
InChIKeySKLVBQIOHNRHEU-UHFFFAOYSA-N
XLogP3.78
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine 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

5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 10266556
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
CID 53483626
(2S)-2-(azidomethyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 23986304
ethyl 2-[4-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydro-1,4-oxazin-6-yl]acetate
CID 71490481
3-benzyl-8-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane
CID 74600347
2-(azidomethyl)-4-benzylmorpholine
CID 19848617
6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine
CID 102512832
3-(azidomethyl)-5-tert-butyl-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 141495053
(3S)-3-benzyl-6-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 135070212
(1R,6R)-3-(4-methylphenyl)sulfonyl-6-(phenylmethoxymethyl)-3-azabicyclo[4.1.0]hept-4-ene
CID 44607494
(2S)-2-benzyl-1,4,7,10-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 124870685

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine (CID 132966836) is 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine is Cc1ccc(S(=O)(=O)N2C=C(Cc3ccccc3)OC(CN=[N+]=[N-])C2)cc1.
What is the InChIKey of 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine?
The InChIKey is SKLVBQIOHNRHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-15-7-9-19(10-8-15)27(24,25)23-13-17(11-16-5-3-2-4-6-16)26-18(14-23)12-21-22-20/h2-10,13,18H,11-12,14H2,1H3.
What are the key properties of 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine?
2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine has a molecular weight of 384.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 132966836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).