(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide

C15H22N2O4S — CID 124940760

IUPAC(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@]1(C)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C15H22N2O4S/c1-15(12-17(9-10-21-15)22(3,19)20)14(18)16(2)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/t15-/m1/s1
InChIKeyAIJZOLKPYWHZEA-OAHLLOKOSA-N
MW326.42 g/mol
LogP0.70
Rot. Bonds4

About (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide

(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide (PubChem CID 124940760) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide
PubChem CID124940760
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@]1(C)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C15H22N2O4S/c1-15(12-17(9-10-21-15)22(3,19)20)14(18)16(2)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/t15-/m1/s1
InChIKeyAIJZOLKPYWHZEA-OAHLLOKOSA-N
XLogP0.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide (CID 124940760) is (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide is CN(Cc1ccccc1)C(=O)[C@@]1(C)CN(S(C)(=O)=O)CCO1.
What is the InChIKey of (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide?
The InChIKey is AIJZOLKPYWHZEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(12-17(9-10-21-15)22(3,19)20)14(18)16(2)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide?
(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 124940760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).