2,5-dimethylmorpholine-4-sulfonyl chloride

C6H12ClNO3S — CID 43544471

IUPAC2,5-dimethylmorpholine-4-sulfonyl chloride
SMILESCC1CN(S(=O)(=O)Cl)C(C)CO1
InChIInChI=1S/C6H12ClNO3S/c1-5-4-11-6(2)3-8(5)12(7,9)10/h5-6H,3-4H2,1-2H3
InChIKeyFGFHSVAFDFWLMD-UHFFFAOYSA-N
MW213.69 g/mol
LogP0.58
Rot. Bonds1

About 2,5-dimethylmorpholine-4-sulfonyl chloride

2,5-dimethylmorpholine-4-sulfonyl chloride (PubChem CID 43544471) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 2,5-dimethylmorpholine-4-sulfonyl chloride.

Molecular Properties

Compound Name2,5-dimethylmorpholine-4-sulfonyl chloride
PubChem CID43544471
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name2,5-dimethylmorpholine-4-sulfonyl chloride
SMILESCC1CN(S(=O)(=O)Cl)C(C)CO1
InChIInChI=1S/C6H12ClNO3S/c1-5-4-11-6(2)3-8(5)12(7,9)10/h5-6H,3-4H2,1-2H3
InChIKeyFGFHSVAFDFWLMD-UHFFFAOYSA-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 2,5-dimethylmorpholine-4-sulfonyl chloride?
The IUPAC name of 2,5-dimethylmorpholine-4-sulfonyl chloride (CID 43544471) is 2,5-dimethylmorpholine-4-sulfonyl chloride.
What is the SMILES notation for 2,5-dimethylmorpholine-4-sulfonyl chloride?
The canonical SMILES for 2,5-dimethylmorpholine-4-sulfonyl chloride is CC1CN(S(=O)(=O)Cl)C(C)CO1.
What is the InChIKey of 2,5-dimethylmorpholine-4-sulfonyl chloride?
The InChIKey is FGFHSVAFDFWLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c1-5-4-11-6(2)3-8(5)12(7,9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethylmorpholine-4-sulfonyl chloride?
2,5-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 2,5-dimethylmorpholine-4-sulfonyl chloride is sourced from PubChem (CID 43544471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).