[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone

C18H27N3O4S — CID 119579187

IUPAC[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)CCN1
InChIInChI=1S/C18H27N3O4S/c1-13-10-20(8-7-19-13)18(22)16-5-4-6-17(9-16)26(23,24)21-11-14(2)25-15(3)12-21/h4-6,9,13-15,19H,7-8,10-12H2,1-3H3
InChIKeyMEQUWWGZUUNBMP-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.92
Rot. Bonds3

About [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone

[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone (PubChem CID 119579187) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone
PubChem CID119579187
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)CCN1
InChIInChI=1S/C18H27N3O4S/c1-13-10-20(8-7-19-13)18(22)16-5-4-6-17(9-16)26(23,24)21-11-14(2)25-15(3)12-21/h4-6,9,13-15,19H,7-8,10-12H2,1-3H3
InChIKeyMEQUWWGZUUNBMP-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
1-[4-[4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 97289180
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
CID 43057359
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 43001978
(3-methylpiperazin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119579874
N-methyl-3-(3-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119578603
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
CID 55948015
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110354731
2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 9093988

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone (CID 119579187) is [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)CCN1.
What is the InChIKey of [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone?
The InChIKey is MEQUWWGZUUNBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-13-10-20(8-7-19-13)18(22)16-5-4-6-17(9-16)26(23,24)21-11-14(2)25-15(3)12-21/h4-6,9,13-15,19H,7-8,10-12H2,1-3H3.
What are the key properties of [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone?
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone has a molecular weight of 381.50 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119579187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).