2-methylmorpholine-4-sulfonyl chloride

C5H10ClNO3S — CID 16785517

IUPAC2-methylmorpholine-4-sulfonyl chloride
SMILESCC1CN(S(=O)(=O)Cl)CCO1
InChIInChI=1S/C5H10ClNO3S/c1-5-4-7(2-3-10-5)11(6,8)9/h5H,2-4H2,1H3
InChIKeyFYKOGVZTHAJLMB-UHFFFAOYSA-N
MW199.66 g/mol
LogP0.19
Rot. Bonds1

About 2-methylmorpholine-4-sulfonyl chloride

2-methylmorpholine-4-sulfonyl chloride (PubChem CID 16785517) has the molecular formula C5H10ClNO3S and a molecular weight of 199.66 g/mol. Its IUPAC name is 2-methylmorpholine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-methylmorpholine-4-sulfonyl chloride
PubChem CID16785517
Molecular FormulaC5H10ClNO3S
Molecular Weight199.66 g/mol
Exact Mass199.01
IUPAC Name2-methylmorpholine-4-sulfonyl chloride
SMILESCC1CN(S(=O)(=O)Cl)CCO1
InChIInChI=1S/C5H10ClNO3S/c1-5-4-7(2-3-10-5)11(6,8)9/h5H,2-4H2,1H3
InChIKeyFYKOGVZTHAJLMB-UHFFFAOYSA-N
XLogP0.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylmorpholine-4-sulfonyl chloride?
The IUPAC name of 2-methylmorpholine-4-sulfonyl chloride (CID 16785517) is 2-methylmorpholine-4-sulfonyl chloride.
What is the SMILES notation for 2-methylmorpholine-4-sulfonyl chloride?
The canonical SMILES for 2-methylmorpholine-4-sulfonyl chloride is CC1CN(S(=O)(=O)Cl)CCO1.
What is the InChIKey of 2-methylmorpholine-4-sulfonyl chloride?
The InChIKey is FYKOGVZTHAJLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO3S/c1-5-4-7(2-3-10-5)11(6,8)9/h5H,2-4H2,1H3.
What are the key properties of 2-methylmorpholine-4-sulfonyl chloride?
2-methylmorpholine-4-sulfonyl chloride has a molecular weight of 199.66 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylmorpholine-4-sulfonyl chloride is sourced from PubChem (CID 16785517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).