2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine

C13H19N5O3S — CID 110105107

IUPAC2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
SMILESCc1cn(C)c(C2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1
InChIInChI=1S/C13H19N5O3S/c1-10-6-17(3)13(15-10)11-7-18(4-5-21-11)22(19,20)12-8-16(2)9-14-12/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyNBGXKQWIMXTQCN-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.22
Rot. Bonds3

About 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine

2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine (PubChem CID 110105107) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
PubChem CID110105107
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
SMILESCc1cn(C)c(C2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1
InChIInChI=1S/C13H19N5O3S/c1-10-6-17(3)13(15-10)11-7-18(4-5-21-11)22(19,20)12-8-16(2)9-14-12/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyNBGXKQWIMXTQCN-UHFFFAOYSA-N
XLogP0.22
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine 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

(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine
CID 124953478
2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 81211759
(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
CID 95167565
N-(5-fluoro-2-pyridinyl)-6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]pyridin-2-amine
CID 124961644
methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate
CID 132779801
6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124942643
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
(2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
CID 125016684
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine?
The IUPAC name of 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine (CID 110105107) is 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine is Cc1cn(C)c(C2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1.
What is the InChIKey of 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine?
The InChIKey is NBGXKQWIMXTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-10-6-17(3)13(15-10)11-7-18(4-5-21-11)22(19,20)12-8-16(2)9-14-12/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine?
2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine has a molecular weight of 325.39 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 110105107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).