(2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide

C13H25N3O4S — CID 95839487

IUPAC(2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(C2CCN(S(C)(=O)=O)CC2)CCO1
InChIInChI=1S/C13H25N3O4S/c1-13(12(17)14-2)10-15(8-9-20-13)11-4-6-16(7-5-11)21(3,18)19/h11H,4-10H2,1-3H3,(H,14,17)/t13-/m1/s1
InChIKeyFBJNGJCEDJGNLC-CYBMUJFWSA-N
MW319.43 g/mol
LogP-0.75
Rot. Bonds3

About (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide

(2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide (PubChem CID 95839487) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide
PubChem CID95839487
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name(2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(C2CCN(S(C)(=O)=O)CC2)CCO1
InChIInChI=1S/C13H25N3O4S/c1-13(12(17)14-2)10-15(8-9-20-13)11-4-6-16(7-5-11)21(3,18)19/h11H,4-10H2,1-3H3,(H,14,17)/t13-/m1/s1
InChIKeyFBJNGJCEDJGNLC-CYBMUJFWSA-N
XLogP-0.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide (CID 95839487) is (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide is CNC(=O)[C@@]1(C)CN(C2CCN(S(C)(=O)=O)CC2)CCO1.
What is the InChIKey of (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide?
The InChIKey is FBJNGJCEDJGNLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-13(12(17)14-2)10-15(8-9-20-13)11-4-6-16(7-5-11)21(3,18)19/h11H,4-10H2,1-3H3,(H,14,17)/t13-/m1/s1.
What are the key properties of (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide?
(2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 95839487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).