[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C22H31N3O6S — CID 55330456

IUPAC[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)cc2)CC(C)O1
InChIInChI=1S/C22H31N3O6S/c1-16-14-25(15-17(2)31-16)32(28,29)19-7-5-18(6-8-19)21(26)23-9-11-24(12-10-23)22(27)20-4-3-13-30-20/h5-8,16-17,20H,3-4,9-15H2,1-2H3
InChIKeyHZTGPCVXFZLEES-UHFFFAOYSA-N
MW465.57 g/mol
LogP0.95
Rot. Bonds4

About [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55330456) has the molecular formula C22H31N3O6S and a molecular weight of 465.57 g/mol. Its IUPAC name is [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55330456
Molecular FormulaC22H31N3O6S
Molecular Weight465.57 g/mol
Exact Mass465.19
IUPAC Name[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)cc2)CC(C)O1
InChIInChI=1S/C22H31N3O6S/c1-16-14-25(15-17(2)31-16)32(28,29)19-7-5-18(6-8-19)21(26)23-9-11-24(12-10-23)22(27)20-4-3-13-30-20/h5-8,16-17,20H,3-4,9-15H2,1-2H3
InChIKeyHZTGPCVXFZLEES-UHFFFAOYSA-N
XLogP0.95
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
N-cyclohexyl-N-methyl-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55406002
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 55330043
[(1R,5S)-7-(4-methoxyphenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(oxolan-2-yl)methanone
CID 171687989
[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850014
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26776175
(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343773

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55330456) is [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone is CC1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)cc2)CC(C)O1.
What is the InChIKey of [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is HZTGPCVXFZLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S/c1-16-14-25(15-17(2)31-16)32(28,29)19-7-5-18(6-8-19)21(26)23-9-11-24(12-10-23)22(27)20-4-3-13-30-20/h5-8,16-17,20H,3-4,9-15H2,1-2H3.
What are the key properties of [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 465.57 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55330456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).