2-benzyl-4-benzylsulfonylmorpholine

C18H21NO3S — CID 71801614

IUPAC2-benzyl-4-benzylsulfonylmorpholine
SMILESO=S(=O)(Cc1ccccc1)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C18H21NO3S/c20-23(21,15-17-9-5-2-6-10-17)19-11-12-22-18(14-19)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyIWDJQGKJGFTUAZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.46
Rot. Bonds5

About 2-benzyl-4-benzylsulfonylmorpholine

2-benzyl-4-benzylsulfonylmorpholine (PubChem CID 71801614) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-benzyl-4-benzylsulfonylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-benzylsulfonylmorpholine
PubChem CID71801614
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-benzyl-4-benzylsulfonylmorpholine
SMILESO=S(=O)(Cc1ccccc1)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C18H21NO3S/c20-23(21,15-17-9-5-2-6-10-17)19-11-12-22-18(14-19)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyIWDJQGKJGFTUAZ-UHFFFAOYSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
CID 28732849
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
3-[[2-(hydroxymethyl)morpholin-4-yl]sulfonylmethyl]benzoic acid
CID 81193587
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110643940
2-(bromomethyl)-4-(2-phenylethylsulfonyl)morpholine
CID 81211671
3-[[2-(hydroxymethyl)morpholin-4-yl]sulfonylmethyl]benzonitrile
CID 81219812
3-[[(2S)-2-(aminomethyl)morpholin-4-yl]sulfonylmethyl]benzonitrile
CID 129394379
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895302
(2R)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960005

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-benzylsulfonylmorpholine?
The IUPAC name of 2-benzyl-4-benzylsulfonylmorpholine (CID 71801614) is 2-benzyl-4-benzylsulfonylmorpholine.
What is the SMILES notation for 2-benzyl-4-benzylsulfonylmorpholine?
The canonical SMILES for 2-benzyl-4-benzylsulfonylmorpholine is O=S(=O)(Cc1ccccc1)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-4-benzylsulfonylmorpholine?
The InChIKey is IWDJQGKJGFTUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-23(21,15-17-9-5-2-6-10-17)19-11-12-22-18(14-19)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2.
What are the key properties of 2-benzyl-4-benzylsulfonylmorpholine?
2-benzyl-4-benzylsulfonylmorpholine has a molecular weight of 331.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-benzylsulfonylmorpholine is sourced from PubChem (CID 71801614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).