(2R,6S)-2,6-bis(methylsulfonyl)morpholine

C6H13NO5S2 — CID 118610656

IUPAC(2R,6S)-2,6-bis(methylsulfonyl)morpholine
SMILESCS(=O)(=O)[C@@H]1CNC[C@H](S(C)(=O)=O)O1
InChIInChI=1S/C6H13NO5S2/c1-13(8,9)5-3-7-4-6(12-5)14(2,10)11/h5-7H,3-4H2,1-2H3/t5-,6+
InChIKeyYAQTZFGBRMLCEF-OLQVQODUSA-N
MW243.31 g/mol
LogP-1.65
Rot. Bonds2

About (2R,6S)-2,6-bis(methylsulfonyl)morpholine

(2R,6S)-2,6-bis(methylsulfonyl)morpholine (PubChem CID 118610656) has the molecular formula C6H13NO5S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R,6S)-2,6-bis(methylsulfonyl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-bis(methylsulfonyl)morpholine
PubChem CID118610656
Molecular FormulaC6H13NO5S2
Molecular Weight243.31 g/mol
Exact Mass243.02
IUPAC Name(2R,6S)-2,6-bis(methylsulfonyl)morpholine
SMILESCS(=O)(=O)[C@@H]1CNC[C@H](S(C)(=O)=O)O1
InChIInChI=1S/C6H13NO5S2/c1-13(8,9)5-3-7-4-6(12-5)14(2,10)11/h5-7H,3-4H2,1-2H3/t5-,6+
InChIKeyYAQTZFGBRMLCEF-OLQVQODUSA-N
XLogP-1.65
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,6S)-2,6-bis(methylsulfonyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-bis(methylsulfonyl)morpholine?
The IUPAC name of (2R,6S)-2,6-bis(methylsulfonyl)morpholine (CID 118610656) is (2R,6S)-2,6-bis(methylsulfonyl)morpholine.
What is the SMILES notation for (2R,6S)-2,6-bis(methylsulfonyl)morpholine?
The canonical SMILES for (2R,6S)-2,6-bis(methylsulfonyl)morpholine is CS(=O)(=O)[C@@H]1CNC[C@H](S(C)(=O)=O)O1.
What is the InChIKey of (2R,6S)-2,6-bis(methylsulfonyl)morpholine?
The InChIKey is YAQTZFGBRMLCEF-OLQVQODUSA-N. The full InChI is InChI=1S/C6H13NO5S2/c1-13(8,9)5-3-7-4-6(12-5)14(2,10)11/h5-7H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2R,6S)-2,6-bis(methylsulfonyl)morpholine?
(2R,6S)-2,6-bis(methylsulfonyl)morpholine has a molecular weight of 243.31 g/mol, XLogP of -1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-bis(methylsulfonyl)morpholine is sourced from PubChem (CID 118610656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).