2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine

C17H25N3O5S — CID 2922038

IUPAC2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)CC(C)O1
InChIInChI=1S/C17H25N3O5S/c1-13-11-18(12-14(2)25-13)16-7-6-15(20(21)22)10-17(16)26(23,24)19-8-4-3-5-9-19/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3
InChIKeyWNHBGWHKODSHPZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.38
Rot. Bonds4

About 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine

2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine (PubChem CID 2922038) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine
PubChem CID2922038
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)CC(C)O1
InChIInChI=1S/C17H25N3O5S/c1-13-11-18(12-14(2)25-13)16-7-6-15(20(21)22)10-17(16)26(23,24)19-8-4-3-5-9-19/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3
InChIKeyWNHBGWHKODSHPZ-UHFFFAOYSA-N
XLogP2.38
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)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

1-(2-Morpholin-4-ylsulfonyl-4-nitroanilino)propan-2-ol
CID 3679991
3-(2-Morpholin-4-ylsulfonyl-4-nitroanilino)propan-1-ol
CID 5054323
4-[2-(4-Ethylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
CID 558538
Ethyl 1-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidine-4-carboxylate
CID 2883296
4-{[2-(4-Methyl-1-piperazinyl)-5-nitrophenyl]sulfonyl}morpholine
CID 2920401
N-(4-Morpholin-4-yl-phenyl)-2-nitrobenzenesulfonamide
CID 1118418
1-{2-[(4-Methyl-1-piperazinyl)sulfonyl]-4-nitrophenyl}azepane
CID 2922025
5-Nitro-2-piperidin-1-ylbenzenesulfonamide
CID 14910325
2-Morpholin-4-yl-5-nitrobenzenesulfonamide
CID 44586078
N-(4-morpholin-4-yl-3-morpholin-4-ylsulfonylphenyl)butane-1-sulfonamide
CID 2971956
4-({4-[(3-Nitrophenyl)sulfonyl]piperazin-1-yl}sulfonyl)morpholine
CID 5301615
N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-nitro-N-phenylbenzenesulfonamide
CID 2885019

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine (CID 2922038) is 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine is CC1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine?
The InChIKey is WNHBGWHKODSHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-13-11-18(12-14(2)25-13)16-7-6-15(20(21)22)10-17(16)26(23,24)19-8-4-3-5-9-19/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine?
2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine has a molecular weight of 383.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-nitro-2-piperidin-1-ylsulfonylphenyl)morpholine is sourced from PubChem (CID 2922038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).