[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone

C22H24N2O4S — CID 2326626

IUPAC[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C22H24N2O4S/c1-15-11-19-8-4-5-10-24(19)21(15)22(25)18-7-6-9-20(12-18)29(26,27)23-13-16(2)28-17(3)14-23/h4-12,16-17H,13-14H2,1-3H3/t16-,17+
InChIKeyOPPYMRDZZJWNSV-CALCHBBNSA-N
MW412.51 g/mol
LogP3.28
Rot. Bonds4

About [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone

[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone (PubChem CID 2326626) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone.

Molecular Properties

Compound Name[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone
PubChem CID2326626
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C22H24N2O4S/c1-15-11-19-8-4-5-10-24(19)21(15)22(25)18-7-6-9-20(12-18)29(26,27)23-13-16(2)28-17(3)14-23/h4-12,16-17H,13-14H2,1-3H3/t16-,17+
InChIKeyOPPYMRDZZJWNSV-CALCHBBNSA-N
XLogP3.28
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone with MolForge

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
3-[1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-2-methylindolizin-3-yl]propanoic acid
CID 40843280
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
(2-methylphenyl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16578208
(2-methylphenyl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661132
propyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 46544170
(4-methylphenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764714
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 102932309
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
[2-(methylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16525926

Frequently Asked Questions

What is the IUPAC name of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone?
The IUPAC name of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone (CID 2326626) is [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone.
What is the SMILES notation for [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone?
The canonical SMILES for [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone is Cc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone?
The InChIKey is OPPYMRDZZJWNSV-CALCHBBNSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15-11-19-8-4-5-10-24(19)21(15)22(25)18-7-6-9-20(12-18)29(26,27)23-13-16(2)28-17(3)14-23/h4-12,16-17H,13-14H2,1-3H3/t16-,17+.
What are the key properties of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone?
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone has a molecular weight of 412.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone is sourced from PubChem (CID 2326626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).