4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

C17H24N2O6S2 — CID 25472798

IUPAC4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H24N2O6S2/c1-12-9-19(10-13(2)25-12)27(23,24)16-5-3-14(4-6-16)17(20)18-15-7-8-26(21,22)11-15/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15-/m1/s1
InChIKeyMTJKEHQRZWXJGI-UMVBOHGHSA-N
MW416.52 g/mol
LogP0.40
Rot. Bonds4

About 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 25472798) has the molecular formula C17H24N2O6S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID25472798
Molecular FormulaC17H24N2O6S2
Molecular Weight416.52 g/mol
Exact Mass416.11
IUPAC Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H24N2O6S2/c1-12-9-19(10-13(2)25-12)27(23,24)16-5-3-14(4-6-16)17(20)18-15-7-8-26(21,22)11-15/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15-/m1/s1
InChIKeyMTJKEHQRZWXJGI-UMVBOHGHSA-N
XLogP0.40
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide with MolForge

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide
CID 45354773
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
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
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407992
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
3-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]propyl-dimethylazanium
CID 8886355
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96541952
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 7260135
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 25472798) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1.
What is the InChIKey of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is MTJKEHQRZWXJGI-UMVBOHGHSA-N. The full InChI is InChI=1S/C17H24N2O6S2/c1-12-9-19(10-13(2)25-12)27(23,24)16-5-3-14(4-6-16)17(20)18-15-7-8-26(21,22)11-15/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15-/m1/s1.
What are the key properties of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 25472798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).