N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide

C15H23N3O5S — CID 34115064

IUPACN-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide
SMILESC[C@@H]1CN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1
InChIInChI=1S/C15H23N3O5S/c1-11(17-9-12(2)23-13(3)10-17)8-16-24(21,22)15-6-4-14(5-7-15)18(19)20/h4-7,11-13,16H,8-10H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyUHXGXHZAYIZSJM-RWMBFGLXSA-N
MW357.43 g/mol
LogP1.37
Rot. Bonds6

About N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide (PubChem CID 34115064) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide
PubChem CID34115064
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC NameN-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide
SMILESC[C@@H]1CN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1
InChIInChI=1S/C15H23N3O5S/c1-11(17-9-12(2)23-13(3)10-17)8-16-24(21,22)15-6-4-14(5-7-15)18(19)20/h4-7,11-13,16H,8-10H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyUHXGXHZAYIZSJM-RWMBFGLXSA-N
XLogP1.37
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide (CID 34115064) is N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide is C[C@@H]1CN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1.
What is the InChIKey of N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide?
The InChIKey is UHXGXHZAYIZSJM-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-11(17-9-12(2)23-13(3)10-17)8-16-24(21,22)15-6-4-14(5-7-15)18(19)20/h4-7,11-13,16H,8-10H2,1-3H3/t11-,12-,13+/m0/s1.
What are the key properties of N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide?
N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 34115064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).