2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone

C15H19N3O4S — CID 85374801

IUPAC2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCC1COC(C)(C)N1C(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19N3O4S/c1-4-11-10-22-15(2,3)18(11)14(19)13(17-16)23(20,21)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyIYJFJZZMARNAFC-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.46
Rot. Bonds2

About 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone

2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 85374801) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID85374801
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCC1COC(C)(C)N1C(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19N3O4S/c1-4-11-10-22-15(2,3)18(11)14(19)13(17-16)23(20,21)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyIYJFJZZMARNAFC-UHFFFAOYSA-N
XLogP1.46
TPSA100.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonyl)-1-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-diazoethanone
CID 101194770
2-(benzenesulfonyl)-2-diazo-1-[4-(3-methoxyphenyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 74961310
4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide
CID 132519381
2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide
CID 71359359
2-diazo-1-[(4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one
CID 91102087
4-[[4-[[2-(benzenesulfonylmethyl)phenyl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 154451568
2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 70676873
benzyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14633851
butyl 2-(benzenesulfonyl)-2-diazoacetate
CID 139981709
2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone
CID 139237416
1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione
CID 18380414
9H-fluoren-9-ylmethyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91666990

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone (CID 85374801) is 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone is CCC1COC(C)(C)N1C(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is IYJFJZZMARNAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-11-10-22-15(2,3)18(11)14(19)13(17-16)23(20,21)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 337.40 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 85374801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).