6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine

C11H22ClNO3S — CID 106731416

IUPAC6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
SMILESCCS(=O)(=O)CCN1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C11H22ClNO3S/c1-4-17(14,15)6-5-13-8-10(7-12)16-11(2,3)9-13/h10H,4-9H2,1-3H3
InChIKeyWRGOOZUZFSNZLT-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.14
Rot. Bonds5

About 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine

6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine (PubChem CID 106731416) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
PubChem CID106731416
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
SMILESCCS(=O)(=O)CCN1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C11H22ClNO3S/c1-4-17(14,15)6-5-13-8-10(7-12)16-11(2,3)9-13/h10H,4-9H2,1-3H3
InChIKeyWRGOOZUZFSNZLT-UHFFFAOYSA-N
XLogP1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
CID 114780482
6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 114780607
4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
CID 114781769
4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107897805
6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine
CID 103140049
6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine
CID 114015270
6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
CID 114781797
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
CID 114781770
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
CID 114779668

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine (CID 106731416) is 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine is CCS(=O)(=O)CCN1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine?
The InChIKey is WRGOOZUZFSNZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-4-17(14,15)6-5-13-8-10(7-12)16-11(2,3)9-13/h10H,4-9H2,1-3H3.
What are the key properties of 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine?
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine has a molecular weight of 283.82 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 106731416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).