4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine

C16H24N2O3S — CID 169307366

IUPAC4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCC1(C)CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C16H24N2O3S/c1-16(2)12-17(13-16)11-14-4-3-5-15(10-14)22(19,20)18-6-8-21-9-7-18/h3-5,10H,6-9,11-13H2,1-2H3
InChIKeyHKRPETQMDBGSAH-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.55
Rot. Bonds4

About 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine

4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 169307366) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID169307366
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCC1(C)CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C16H24N2O3S/c1-16(2)12-17(13-16)11-14-4-3-5-15(10-14)22(19,20)18-6-8-21-9-7-18/h3-5,10H,6-9,11-13H2,1-2H3
InChIKeyHKRPETQMDBGSAH-UHFFFAOYSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
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
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 163257957
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
4-[3-[[4-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 47012655
2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 42955058
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine
CID 7458388
4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
CID 7465712

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 169307366) is 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine is CC1(C)CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1.
What is the InChIKey of 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is HKRPETQMDBGSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2)12-17(13-16)11-14-4-3-5-15(10-14)22(19,20)18-6-8-21-9-7-18/h3-5,10H,6-9,11-13H2,1-2H3.
What are the key properties of 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 324.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 169307366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).