2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile

C19H20N2O3S — CID 110644115

IUPAC2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
SMILESCC1COC(Cc2ccccc2)CN1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C19H20N2O3S/c1-15-14-24-18(11-16-7-3-2-4-8-16)13-21(15)25(22,23)19-10-6-5-9-17(19)12-20/h2-10,15,18H,11,13-14H2,1H3
InChIKeyVCBJCRLWEKFKQB-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.58
Rot. Bonds4

About 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile

2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile (PubChem CID 110644115) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
PubChem CID110644115
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
SMILESCC1COC(Cc2ccccc2)CN1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C19H20N2O3S/c1-15-14-24-18(11-16-7-3-2-4-8-16)13-21(15)25(22,23)19-10-6-5-9-17(19)12-20/h2-10,15,18H,11,13-14H2,1H3
InChIKeyVCBJCRLWEKFKQB-UHFFFAOYSA-N
XLogP2.58
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]sulfonylbenzonitrile
CID 161452470
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile
CID 62330010
2-(bromomethyl)-4-(2-fluorophenyl)sulfonyl-5-methylmorpholine
CID 81211272
2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 3523290
4-chloro-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 81194735

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile?
The IUPAC name of 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile (CID 110644115) is 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile.
What is the SMILES notation for 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile?
The canonical SMILES for 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile is CC1COC(Cc2ccccc2)CN1S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile?
The InChIKey is VCBJCRLWEKFKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-15-14-24-18(11-16-7-3-2-4-8-16)13-21(15)25(22,23)19-10-6-5-9-17(19)12-20/h2-10,15,18H,11,13-14H2,1H3.
What are the key properties of 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile?
2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile has a molecular weight of 356.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile is sourced from PubChem (CID 110644115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).