4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine

C15H22N4O5S — CID 2920401

IUPAC4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H22N4O5S/c1-16-4-6-17(7-5-16)14-3-2-13(19(20)21)12-15(14)25(22,23)18-8-10-24-11-9-18/h2-3,12H,4-11H2,1H3
InChIKeyKDUZTGPEQGJQCJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.37
Rot. Bonds4

About 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine

4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine (PubChem CID 2920401) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
PubChem CID2920401
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H22N4O5S/c1-16-4-6-17(7-5-16)14-3-2-13(19(20)21)12-15(14)25(22,23)18-8-10-24-11-9-18/h2-3,12H,4-11H2,1H3
InChIKeyKDUZTGPEQGJQCJ-UHFFFAOYSA-N
XLogP0.37
TPSA96.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine (CID 2920401) is 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine is CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine?
The InChIKey is KDUZTGPEQGJQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-16-4-6-17(7-5-16)14-3-2-13(19(20)21)12-15(14)25(22,23)18-8-10-24-11-9-18/h2-3,12H,4-11H2,1H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine?
4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine has a molecular weight of 370.43 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine is sourced from PubChem (CID 2920401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).