2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine

C15H16N2O6S — CID 133414362

IUPAC2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
SMILESCS(=O)(=O)c1cccc(N2CCOC(c3ccco3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O6S/c1-24(20,21)14-6-2-4-11(15(14)17(18)19)16-7-9-23-13(10-16)12-5-3-8-22-12/h2-6,8,13H,7,9-10H2,1H3
InChIKeyNZYSTWHRHHGICY-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.17
Rot. Bonds4

About 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine

2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine (PubChem CID 133414362) has the molecular formula C15H16N2O6S and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
PubChem CID133414362
Molecular FormulaC15H16N2O6S
Molecular Weight352.37 g/mol
Exact Mass352.07
IUPAC Name2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
SMILESCS(=O)(=O)c1cccc(N2CCOC(c3ccco3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O6S/c1-24(20,21)14-6-2-4-11(15(14)17(18)19)16-7-9-23-13(10-16)12-5-3-8-22-12/h2-6,8,13H,7,9-10H2,1H3
InChIKeyNZYSTWHRHHGICY-UHFFFAOYSA-N
XLogP2.17
TPSA102.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133432590
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzenesulfonamide
CID 133347045
4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 133347277
4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
CID 133347046
3-methyl-1-(3-methylsulfonyl-2-nitrophenyl)piperidin-4-ol
CID 114680963
2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133347026
3-(2-methylpropyl)-1-(3-methylsulfonyl-2-nitrophenyl)pyrrolidine
CID 133414248
4-(3-fluoro-2-nitrophenyl)-2-methylmorpholine
CID 61396882
2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
CID 47983349
3-imidazol-1-yl-4-methyl-1-(3-methylsulfonyl-2-nitrophenyl)piperidine
CID 133414420
2,6-dimethyl-4-[[1-(3-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]methyl]morpholine
CID 133432569
2-(furan-2-yl)-5-[4-(3-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 133393395

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine?
The IUPAC name of 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine (CID 133414362) is 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine.
What is the SMILES notation for 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine?
The canonical SMILES for 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine is CS(=O)(=O)c1cccc(N2CCOC(c3ccco3)C2)c1[N+](=O)[O-].
What is the InChIKey of 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine?
The InChIKey is NZYSTWHRHHGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S/c1-24(20,21)14-6-2-4-11(15(14)17(18)19)16-7-9-23-13(10-16)12-5-3-8-22-12/h2-6,8,13H,7,9-10H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine?
2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine has a molecular weight of 352.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine is sourced from PubChem (CID 133414362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).