[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone

C18H27N3O4S — CID 46452768

IUPAC[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-14-4-6-17(7-5-14)18(22)19-8-10-20(11-9-19)26(23,24)21-12-15(2)25-16(3)13-21/h4-7,15-16H,8-13H2,1-3H3
InChIKeyNGSBZGSDJLFBPJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.11
Rot. Bonds3

About [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 46452768) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID46452768
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-14-4-6-17(7-5-14)18(22)19-8-10-20(11-9-19)26(23,24)21-12-15(2)25-16(3)13-21/h4-7,15-16H,8-13H2,1-3H3
InChIKeyNGSBZGSDJLFBPJ-UHFFFAOYSA-N
XLogP1.11
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 51937047
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 51938857
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 51937054
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone
CID 55601246
N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55636448
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 55617537
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
CID 43066002
N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 30832859

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone (CID 46452768) is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is NGSBZGSDJLFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14-4-6-17(7-5-14)18(22)19-8-10-20(11-9-19)26(23,24)21-12-15(2)25-16(3)13-21/h4-7,15-16H,8-13H2,1-3H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone?
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 381.50 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 46452768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).