2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine

C9H18ClNO5S2 — CID 102938066

IUPAC2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CCS(C)(=O)=O)CC(CCl)O1
InChIInChI=1S/C9H18ClNO5S2/c1-8-6-11(7-9(5-10)16-8)18(14,15)4-3-17(2,12)13/h8-9H,3-7H2,1-2H3
InChIKeyMLGWKUIFRXPIEB-UHFFFAOYSA-N
MW319.83 g/mol
LogP-0.31
Rot. Bonds5

About 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine

2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine (PubChem CID 102938066) has the molecular formula C9H18ClNO5S2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine
PubChem CID102938066
Molecular FormulaC9H18ClNO5S2
Molecular Weight319.83 g/mol
Exact Mass319.03
IUPAC Name2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CCS(C)(=O)=O)CC(CCl)O1
InChIInChI=1S/C9H18ClNO5S2/c1-8-6-11(7-9(5-10)16-8)18(14,15)4-3-17(2,12)13/h8-9H,3-7H2,1-2H3
InChIKeyMLGWKUIFRXPIEB-UHFFFAOYSA-N
XLogP-0.31
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine
CID 113755102
N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide
CID 67036711
3-Chloropropane-1-sulfonamide;3-morpholin-4-ylpropane-1-sulfonamide
CID 158828855
4-(3-Chloropropylsulfonyl)-5-ethyl-2-methylmorpholine
CID 43653869
4-(3-Chloropropylsulfonyl)-2,2-dimethylmorpholine
CID 43653908
4-(3-Chloropropylsulfonyl)-2,6-dimethylmorpholine
CID 43653941
4-(3-Chloropropylsulfonyl)-2-methylmorpholine
CID 43653944
4-(3-Chloropropylsulfonyl)-2,5-dimethylmorpholine
CID 43654401
4-(3-Chloropropylsulfonyl)-2-ethylmorpholine
CID 43654408
4-(2-Chloroethylsulfonyl)-2,6-dimethylmorpholine
CID 60722865
4-(3-Chloropropylsulfonyl)-2,2,6-trimethylmorpholine
CID 61971906
4-(1-Chloropropan-2-ylsulfonyl)-2,6-dimethylmorpholine
CID 65745027

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine (CID 102938066) is 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine is CC1CN(S(=O)(=O)CCS(C)(=O)=O)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine?
The InChIKey is MLGWKUIFRXPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO5S2/c1-8-6-11(7-9(5-10)16-8)18(14,15)4-3-17(2,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine?
2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine has a molecular weight of 319.83 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine is sourced from PubChem (CID 102938066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).