(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide

C10H19N3O5S — CID 124955601

IUPAC(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(C(=O)CNS(C)(=O)=O)CCO1
InChIInChI=1S/C10H19N3O5S/c1-10(9(15)11-2)7-13(4-5-18-10)8(14)6-12-19(3,16)17/h12H,4-7H2,1-3H3,(H,11,15)/t10-/m1/s1
InChIKeyFLASWSGEQXJCLN-SNVBAGLBSA-N
MW293.35 g/mol
LogP-2.10
Rot. Bonds4

About (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide

(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 124955601) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide
PubChem CID124955601
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(C(=O)CNS(C)(=O)=O)CCO1
InChIInChI=1S/C10H19N3O5S/c1-10(9(15)11-2)7-13(4-5-18-10)8(14)6-12-19(3,16)17/h12H,4-7H2,1-3H3,(H,11,15)/t10-/m1/s1
InChIKeyFLASWSGEQXJCLN-SNVBAGLBSA-N
XLogP-2.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide (CID 124955601) is (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)[C@@]1(C)CN(C(=O)CNS(C)(=O)=O)CCO1.
What is the InChIKey of (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is FLASWSGEQXJCLN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-10(9(15)11-2)7-13(4-5-18-10)8(14)6-12-19(3,16)17/h12H,4-7H2,1-3H3,(H,11,15)/t10-/m1/s1.
What are the key properties of (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of -2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 124955601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).