2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium

C21H36N3O4S+ — CID 8919107

IUPAC2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C
InChIInChI=1S/C21H35N3O4S/c1-15(2)24(16(3)4)12-11-22-21(25)19-7-9-20(10-8-19)29(26,27)23-13-17(5)28-18(6)14-23/h7-10,15-18H,11-14H2,1-6H3,(H,22,25)/p+1/t17-,18+
InChIKeyIHTYHDVFNBWLPA-HDICACEKSA-O
MW426.60 g/mol
LogP0.92
Rot. Bonds8

About 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium

2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium (PubChem CID 8919107) has the molecular formula C21H36N3O4S+ and a molecular weight of 426.60 g/mol. Its IUPAC name is 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Name2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium
PubChem CID8919107
Molecular FormulaC21H36N3O4S+
Molecular Weight426.60 g/mol
Exact Mass426.24
IUPAC Name2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C
InChIInChI=1S/C21H35N3O4S/c1-15(2)24(16(3)4)12-11-22-21(25)19-7-9-20(10-8-19)29(26,27)23-13-17(5)28-18(6)14-23/h7-10,15-18H,11-14H2,1-6H3,(H,22,25)/p+1/t17-,18+
InChIKeyIHTYHDVFNBWLPA-HDICACEKSA-O
XLogP0.92
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium with MolForge

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Related Compounds

3-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]propyl-dimethylazanium
CID 8886355
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919223
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407992
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96541952
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26268401
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 8781280
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
(2R)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-methylbutanoic acid
CID 119368860
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 4810896

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium?
The IUPAC name of 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium (CID 8919107) is 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium.
What is the SMILES notation for 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium?
The canonical SMILES for 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium is CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C.
What is the InChIKey of 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium?
The InChIKey is IHTYHDVFNBWLPA-HDICACEKSA-O. The full InChI is InChI=1S/C21H35N3O4S/c1-15(2)24(16(3)4)12-11-22-21(25)19-7-9-20(10-8-19)29(26,27)23-13-17(5)28-18(6)14-23/h7-10,15-18H,11-14H2,1-6H3,(H,22,25)/p+1/t17-,18+.
What are the key properties of 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium?
2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium has a molecular weight of 426.60 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium is sourced from PubChem (CID 8919107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).