[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride

C15H29ClN4O5S — CID 119730727

IUPAC[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3COCCN3)CC2)CC(C)O1.Cl
InChIInChI=1S/C15H28N4O5S.ClH/c1-12-9-19(10-13(2)24-12)25(21,22)18-6-4-17(5-7-18)15(20)14-11-23-8-3-16-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyMWSBCUAXEFJALF-UHFFFAOYSA-N
MW412.94 g/mol
LogP-1.11
Rot. Bonds3

About [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride (PubChem CID 119730727) has the molecular formula C15H29ClN4O5S and a molecular weight of 412.94 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
PubChem CID119730727
Molecular FormulaC15H29ClN4O5S
Molecular Weight412.94 g/mol
Exact Mass412.15
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3COCCN3)CC2)CC(C)O1.Cl
InChIInChI=1S/C15H28N4O5S.ClH/c1-12-9-19(10-13(2)24-12)25(21,22)18-6-4-17(5-7-18)15(20)14-11-23-8-3-16-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyMWSBCUAXEFJALF-UHFFFAOYSA-N
XLogP-1.11
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119730759
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119818048
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone
CID 119678670
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119694698
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119899567
1-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 55601159

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride (CID 119730727) is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride is CC1CN(S(=O)(=O)N2CCN(C(=O)C3COCCN3)CC2)CC(C)O1.Cl.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The InChIKey is MWSBCUAXEFJALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O5S.ClH/c1-12-9-19(10-13(2)24-12)25(21,22)18-6-4-17(5-7-18)15(20)14-11-23-8-3-16-14;/h12-14,16H,3-11H2,1-2H3;1H.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride has a molecular weight of 412.94 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119730727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).