(2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide

C11H22N2O5S — CID 124991542

IUPAC(2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESCCN(CCO)C(=O)[C@@]1(C)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C11H22N2O5S/c1-4-12(5-7-14)10(15)11(2)9-13(6-8-18-11)19(3,16)17/h14H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyPKBUIZKCPPCMIS-LLVKDONJSA-N
MW294.37 g/mol
LogP-1.12
Rot. Bonds5

About (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide

(2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide (PubChem CID 124991542) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
PubChem CID124991542
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name(2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESCCN(CCO)C(=O)[C@@]1(C)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C11H22N2O5S/c1-4-12(5-7-14)10(15)11(2)9-13(6-8-18-11)19(3,16)17/h14H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyPKBUIZKCPPCMIS-LLVKDONJSA-N
XLogP-1.12
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide (CID 124991542) is (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide is CCN(CCO)C(=O)[C@@]1(C)CN(S(C)(=O)=O)CCO1.
What is the InChIKey of (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The InChIKey is PKBUIZKCPPCMIS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-4-12(5-7-14)10(15)11(2)9-13(6-8-18-11)19(3,16)17/h14H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
(2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide has a molecular weight of 294.37 g/mol, XLogP of -1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 124991542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).