(2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one

C16H30N2O2S — CID 124877037

IUPAC(2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one
SMILESCC[C@@H]1CN([C@H](CC)C(=O)N2CCS[C@H](C)[C@H]2C)CCO1
InChIInChI=1S/C16H30N2O2S/c1-5-14-11-17(7-9-20-14)15(6-2)16(19)18-8-10-21-13(4)12(18)3/h12-15H,5-11H2,1-4H3/t12-,13-,14-,15-/m1/s1
InChIKeyHSHGUWXLFCXUCL-KBUPBQIOSA-N
MW314.50 g/mol
LogP2.23
Rot. Bonds4

About (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one

(2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one (PubChem CID 124877037) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one
PubChem CID124877037
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name(2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one
SMILESCC[C@@H]1CN([C@H](CC)C(=O)N2CCS[C@H](C)[C@H]2C)CCO1
InChIInChI=1S/C16H30N2O2S/c1-5-14-11-17(7-9-20-14)15(6-2)16(19)18-8-10-21-13(4)12(18)3/h12-15H,5-11H2,1-4H3/t12-,13-,14-,15-/m1/s1
InChIKeyHSHGUWXLFCXUCL-KBUPBQIOSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one?
The IUPAC name of (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one (CID 124877037) is (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one?
The canonical SMILES for (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one is CC[C@@H]1CN([C@H](CC)C(=O)N2CCS[C@H](C)[C@H]2C)CCO1.
What is the InChIKey of (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one?
The InChIKey is HSHGUWXLFCXUCL-KBUPBQIOSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-5-14-11-17(7-9-20-14)15(6-2)16(19)18-8-10-21-13(4)12(18)3/h12-15H,5-11H2,1-4H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one?
(2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one has a molecular weight of 314.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 124877037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).