(2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine

C15H27N3O4S — CID 28738563

IUPAC(2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOCCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)cnc1S(C)(=O)=O
InChIInChI=1S/C15H27N3O4S/c1-12-9-17(10-13(2)22-12)11-14-8-16-15(23(4,19)20)18(14)6-5-7-21-3/h8,12-13H,5-7,9-11H2,1-4H3/t12-,13+
InChIKeyARDGJYMEQJGJGN-BETUJISGSA-N
MW345.47 g/mol
LogP0.93
Rot. Bonds7

About (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 28738563) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID28738563
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name(2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOCCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)cnc1S(C)(=O)=O
InChIInChI=1S/C15H27N3O4S/c1-12-9-17(10-13(2)22-12)11-14-8-16-15(23(4,19)20)18(14)6-5-7-21-3/h8,12-13H,5-7,9-11H2,1-4H3/t12-,13+
InChIKeyARDGJYMEQJGJGN-BETUJISGSA-N
XLogP0.93
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
CID 95553389
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0117255.P001
CID 42529828
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309
4-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-(trifluoromethyl)morpholine
CID 56873577
(2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
CID 95553390
[5-Methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol
CID 126841711
1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azepane
CID 25280377
(2R*,6S*)-4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2,6-dimethylmorpholine
CID 25286851

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine (CID 28738563) is (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine is COCCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)cnc1S(C)(=O)=O.
What is the InChIKey of (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is ARDGJYMEQJGJGN-BETUJISGSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-12-9-17(10-13(2)22-12)11-14-8-16-15(23(4,19)20)18(14)6-5-7-21-3/h8,12-13H,5-7,9-11H2,1-4H3/t12-,13+.
What are the key properties of (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 345.47 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 28738563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).