4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine

C17H25N3O6S — CID 2956387

IUPAC4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)CC(CN2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O6S/c21-20(22)15-1-3-17(4-2-15)27(23,24)14-16(19-7-11-26-12-8-19)13-18-5-9-25-10-6-18/h1-4,16H,5-14H2
InChIKeyZXRLMFHUUYIQRE-UHFFFAOYSA-N
MW399.47 g/mol
LogP0.40
Rot. Bonds7

About 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine

4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine (PubChem CID 2956387) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine.

Molecular Properties

Compound Name4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine
PubChem CID2956387
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Name4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)CC(CN2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O6S/c21-20(22)15-1-3-17(4-2-15)27(23,24)14-16(19-7-11-26-12-8-19)13-18-5-9-25-10-6-18/h1-4,16H,5-14H2
InChIKeyZXRLMFHUUYIQRE-UHFFFAOYSA-N
XLogP0.40
TPSA102.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine?
The IUPAC name of 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine (CID 2956387) is 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine.
What is the SMILES notation for 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine?
The canonical SMILES for 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine is O=[N+]([O-])c1ccc(S(=O)(=O)CC(CN2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine?
The InChIKey is ZXRLMFHUUYIQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S/c21-20(22)15-1-3-17(4-2-15)27(23,24)14-16(19-7-11-26-12-8-19)13-18-5-9-25-10-6-18/h1-4,16H,5-14H2.
What are the key properties of 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine?
4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine has a molecular weight of 399.47 g/mol, XLogP of 0.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-morpholin-4-yl-3-(4-nitrophenyl)sulfonylpropyl]morpholine is sourced from PubChem (CID 2956387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).