4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine

C8H16ClNO3S — CID 63666343

IUPAC4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1S(=O)(=O)CCl
InChIInChI=1S/C8H16ClNO3S/c1-3-8-5-13-7(2)4-10(8)14(11,12)6-9/h7-8H,3-6H2,1-2H3
InChIKeyMTCZVHLANBWZMX-UHFFFAOYSA-N
MW241.74 g/mol
LogP1.01
Rot. Bonds3

About 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine

4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine (PubChem CID 63666343) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine
PubChem CID63666343
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1S(=O)(=O)CCl
InChIInChI=1S/C8H16ClNO3S/c1-3-8-5-13-7(2)4-10(8)14(11,12)6-9/h7-8H,3-6H2,1-2H3
InChIKeyMTCZVHLANBWZMX-UHFFFAOYSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid
CID 43578522
4-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-5-ethyl-2-methylmorpholine
CID 102750581
1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine
CID 61424752
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline
CID 43576224
3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride
CID 112594679
5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-methylimidazol-4-amine
CID 63978903
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 60859251
1-(chloromethylsulfonyl)-2-ethylpyrrolidine
CID 63666632
4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 60986467
4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine
CID 60809609

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine (CID 63666343) is 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1S(=O)(=O)CCl.
What is the InChIKey of 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine?
The InChIKey is MTCZVHLANBWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-3-8-5-13-7(2)4-10(8)14(11,12)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine?
4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine has a molecular weight of 241.74 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 63666343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).