2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine

C9H18ClNO3S — CID 81211688

IUPAC2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CC(CCl)OCC1C
InChIInChI=1S/C9H18ClNO3S/c1-3-4-15(12,13)11-6-9(5-10)14-7-8(11)2/h8-9H,3-7H2,1-2H3
InChIKeyZPGJMTPBKUCDGK-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.05
Rot. Bonds4

About 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine

2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine (PubChem CID 81211688) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine
PubChem CID81211688
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CC(CCl)OCC1C
InChIInChI=1S/C9H18ClNO3S/c1-3-4-15(12,13)11-6-9(5-10)14-7-8(11)2/h8-9H,3-7H2,1-2H3
InChIKeyZPGJMTPBKUCDGK-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine (CID 81211688) is 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine is CCCS(=O)(=O)N1CC(CCl)OCC1C.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine?
The InChIKey is ZPGJMTPBKUCDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-3-4-15(12,13)11-6-9(5-10)14-7-8(11)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine?
2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine has a molecular weight of 255.77 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine is sourced from PubChem (CID 81211688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).