(2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide

C13H28N2O4S — CID 99623023

IUPAC(2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)[C@H](C)CO1
InChIInChI=1S/C13H28N2O4S/c1-10-9-19-11(2)7-15(10)20(17,18)14(6)12(8-16)13(3,4)5/h10-12,16H,7-9H2,1-6H3/t10-,11-,12+/m1/s1
InChIKeyJUUIDQXZIVHUNP-UTUOFQBUSA-N
MW308.44 g/mol
LogP0.68
Rot. Bonds4

About (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide

(2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide (PubChem CID 99623023) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide
PubChem CID99623023
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC Name(2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)[C@H](C)CO1
InChIInChI=1S/C13H28N2O4S/c1-10-9-19-11(2)7-15(10)20(17,18)14(6)12(8-16)13(3,4)5/h10-12,16H,7-9H2,1-6H3/t10-,11-,12+/m1/s1
InChIKeyJUUIDQXZIVHUNP-UTUOFQBUSA-N
XLogP0.68
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide (CID 99623023) is (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)[C@H](C)CO1.
What is the InChIKey of (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide?
The InChIKey is JUUIDQXZIVHUNP-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-10-9-19-11(2)7-15(10)20(17,18)14(6)12(8-16)13(3,4)5/h10-12,16H,7-9H2,1-6H3/t10-,11-,12+/m1/s1.
What are the key properties of (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide?
(2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide has a molecular weight of 308.44 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 99623023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).