(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone

C17H25N3O4S — CID 110354731

IUPAC(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CCO1
InChIInChI=1S/C17H25N3O4S/c1-14-13-19(10-11-24-14)17(21)15-4-3-5-16(12-15)25(22,23)20-8-6-18(2)7-9-20/h3-5,12,14H,6-11,13H2,1-2H3
InChIKeyQEEDPXUHLDLDRJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.48
Rot. Bonds3

About (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone

(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone (PubChem CID 110354731) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
PubChem CID110354731
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CCO1
InChIInChI=1S/C17H25N3O4S/c1-14-13-19(10-11-24-14)17(21)15-4-3-5-16(12-15)25(22,23)20-8-6-18(2)7-9-20/h3-5,12,14H,6-11,13H2,1-2H3
InChIKeyQEEDPXUHLDLDRJ-UHFFFAOYSA-N
XLogP0.48
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
CID 43057359
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
[3-(aminomethyl)pyrrolidin-1-yl]-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methanone
CID 74246694
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
CID 55948015
(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110614017
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone
CID 119579187

Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone (CID 110354731) is (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone is CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CCO1.
What is the InChIKey of (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The InChIKey is QEEDPXUHLDLDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-14-13-19(10-11-24-14)17(21)15-4-3-5-16(12-15)25(22,23)20-8-6-18(2)7-9-20/h3-5,12,14H,6-11,13H2,1-2H3.
What are the key properties of (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone has a molecular weight of 367.47 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 110354731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).