(2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride

C6H12ClNO3S — CID 55279909

IUPAC(2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride
SMILESC[C@@H]1CN(S(=O)(=O)Cl)C[C@H](C)O1
InChIInChI=1S/C6H12ClNO3S/c1-5-3-8(12(7,9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyIOHUKINMPIUAFU-OLQVQODUSA-N
MW213.69 g/mol
LogP0.58
Rot. Bonds1

About (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride

(2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride (PubChem CID 55279909) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride
PubChem CID55279909
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name(2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride
SMILESC[C@@H]1CN(S(=O)(=O)Cl)C[C@H](C)O1
InChIInChI=1S/C6H12ClNO3S/c1-5-3-8(12(7,9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyIOHUKINMPIUAFU-OLQVQODUSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride?
The IUPAC name of (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride (CID 55279909) is (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride.
What is the SMILES notation for (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride?
The canonical SMILES for (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride is C[C@@H]1CN(S(=O)(=O)Cl)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride?
The InChIKey is IOHUKINMPIUAFU-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c1-5-3-8(12(7,9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride?
(2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride has a molecular weight of 213.69 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylmorpholine-4-sulfonyl chloride is sourced from PubChem (CID 55279909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).