2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine

C17H26N2O4S — CID 42955058

IUPAC2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
SMILESCC1CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)CO1
InChIInChI=1S/C17H26N2O4S/c1-14-13-23-15(2)11-18(14)12-16-4-3-5-17(10-16)24(20,21)19-6-8-22-9-7-19/h3-5,10,14-15H,6-9,11-13H2,1-2H3
InChIKeyONXCXECPNDWRIC-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.32
Rot. Bonds4

About 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine

2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine (PubChem CID 42955058) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
PubChem CID42955058
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
SMILESCC1CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)CO1
InChIInChI=1S/C17H26N2O4S/c1-14-13-23-15(2)11-18(14)12-16-4-3-5-17(10-16)24(20,21)19-6-8-22-9-7-19/h3-5,10,14-15H,6-9,11-13H2,1-2H3
InChIKeyONXCXECPNDWRIC-UHFFFAOYSA-N
XLogP1.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
CID 7465712
2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide
CID 52506806
4-[3-[[4-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 47012655
methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
CID 134007278
4-[3-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]phenyl]sulfonylmorpholine
CID 25482649
1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 71891524

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine?
The IUPAC name of 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine (CID 42955058) is 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine.
What is the SMILES notation for 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine?
The canonical SMILES for 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine is CC1CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)CO1.
What is the InChIKey of 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine?
The InChIKey is ONXCXECPNDWRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14-13-23-15(2)11-18(14)12-16-4-3-5-17(10-16)24(20,21)19-6-8-22-9-7-19/h3-5,10,14-15H,6-9,11-13H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine?
2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine has a molecular weight of 354.47 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine is sourced from PubChem (CID 42955058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).