4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine

C15H22N4O5S — CID 2866183

IUPAC4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
SMILESCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1
InChIInChI=1S/C15H22N4O5S/c1-25(22,23)18-6-4-16(5-7-18)13-2-3-14(19(20)21)15(12-13)17-8-10-24-11-9-17/h2-3,12H,4-11H2,1H3
InChIKeyXMEJSPGVTGXLDU-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.51
Rot. Bonds4

About 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine

4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine (PubChem CID 2866183) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
PubChem CID2866183
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
SMILESCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1
InChIInChI=1S/C15H22N4O5S/c1-25(22,23)18-6-4-16(5-7-18)13-2-3-14(19(20)21)15(12-13)17-8-10-24-11-9-17/h2-3,12H,4-11H2,1H3
InChIKeyXMEJSPGVTGXLDU-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
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'}

Analyze 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine 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

4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17118272
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
1-methyl-4-[3-(4-methylpiperazin-1-yl)-4-nitrophenyl]piperazine
CID 2888142
N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]acetamide
CID 5104311
1-methyl-4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]piperazine
CID 2915495
4-[5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitrophenyl]morpholine
CID 7279316
(3-chloro-4-methylphenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone
CID 2969436
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
1-(4-fluorophenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine
CID 2950180
1-(3-benzyl-4-nitrophenyl)-4-methylsulfonylpiperazine
CID 58425667

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine?
The IUPAC name of 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine (CID 2866183) is 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine.
What is the SMILES notation for 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine?
The canonical SMILES for 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine is CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine?
The InChIKey is XMEJSPGVTGXLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-25(22,23)18-6-4-16(5-7-18)13-2-3-14(19(20)21)15(12-13)17-8-10-24-11-9-17/h2-3,12H,4-11H2,1H3.
What are the key properties of 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine?
4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine has a molecular weight of 370.43 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine is sourced from PubChem (CID 2866183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).