4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine

C12H25N3O3S — CID 120725700

IUPAC4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCNC(C)C2C)CC(C)O1
InChIInChI=1S/C12H25N3O3S/c1-9-7-14(8-10(2)18-9)19(16,17)15-6-5-13-11(3)12(15)4/h9-13H,5-8H2,1-4H3
InChIKeyORLLFLSZCNMTIO-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.02
Rot. Bonds2

About 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine

4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 120725700) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID120725700
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCNC(C)C2C)CC(C)O1
InChIInChI=1S/C12H25N3O3S/c1-9-7-14(8-10(2)18-9)19(16,17)15-6-5-13-11(3)12(15)4/h9-13H,5-8H2,1-4H3
InChIKeyORLLFLSZCNMTIO-UHFFFAOYSA-N
XLogP0.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
CID 119969720
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 64980380
(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 98700562
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine
CID 102680815
4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one
CID 42936453
(3R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidin-3-amine
CID 124572808
tert-butyl (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidine-2-carboxylate
CID 95789114
1-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81103434
2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876580

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine (CID 120725700) is 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)N2CCNC(C)C2C)CC(C)O1.
What is the InChIKey of 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is ORLLFLSZCNMTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-9-7-14(8-10(2)18-9)19(16,17)15-6-5-13-11(3)12(15)4/h9-13H,5-8H2,1-4H3.
What are the key properties of 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine?
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 291.42 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 120725700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).