methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate

C6H12ClNO4S — CID 107650512

IUPACmethyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)CCCl
InChIInChI=1S/C6H12ClNO4S/c1-8(5-6(9)12-2)13(10,11)4-3-7/h3-5H2,1-2H3
InChIKeyVQFDBSVBDUYEOU-UHFFFAOYSA-N
MW229.68 g/mol
LogP-0.34
Rot. Bonds5

About methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate

methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate (PubChem CID 107650512) has the molecular formula C6H12ClNO4S and a molecular weight of 229.68 g/mol. Its IUPAC name is methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate
PubChem CID107650512
Molecular FormulaC6H12ClNO4S
Molecular Weight229.68 g/mol
Exact Mass229.02
IUPAC Namemethyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)CCCl
InChIInChI=1S/C6H12ClNO4S/c1-8(5-6(9)12-2)13(10,11)4-3-7/h3-5H2,1-2H3
InChIKeyVQFDBSVBDUYEOU-UHFFFAOYSA-N
XLogP-0.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 5-0.34
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

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methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
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methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate
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methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
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methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate (CID 107650512) is methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate is COC(=O)CN(C)S(=O)(=O)CCCl.
What is the InChIKey of methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate?
The InChIKey is VQFDBSVBDUYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO4S/c1-8(5-6(9)12-2)13(10,11)4-3-7/h3-5H2,1-2H3.
What are the key properties of methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate?
methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate has a molecular weight of 229.68 g/mol, XLogP of -0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate is sourced from PubChem (CID 107650512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).