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

C7H15NO6S2 — CID 63242882

IUPACmethyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H15NO6S2/c1-8(6-7(9)14-2)16(12,13)5-4-15(3,10)11/h4-6H2,1-3H3
InChIKeyUKMQRHKUKPMHBC-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.53
Rot. Bonds6

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

methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate (PubChem CID 63242882) has the molecular formula C7H15NO6S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
PubChem CID63242882
Molecular FormulaC7H15NO6S2
Molecular Weight273.33 g/mol
Exact Mass273.03
IUPAC Namemethyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H15NO6S2/c1-8(6-7(9)14-2)16(12,13)5-4-15(3,10)11/h4-6H2,1-3H3
InChIKeyUKMQRHKUKPMHBC-UHFFFAOYSA-N
XLogP-1.53
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate
CID 107650512
methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
CID 62954646
methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
CID 60865310
methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate
CID 43624247
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
CID 62334087
methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 63242741
3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008563
4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
CID 43362585
methyl 2-[amino(methylsulfonyl)amino]acetate
CID 123175216
2-[carboxymethyl(2-methylsulfonylethylsulfonyl)amino]acetic acid
CID 63645411
methyl 2-(3-methylsulfonylpropanoylamino)acetate
CID 43623270

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate (CID 63242882) is methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate is COC(=O)CN(C)S(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate?
The InChIKey is UKMQRHKUKPMHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO6S2/c1-8(6-7(9)14-2)16(12,13)5-4-15(3,10)11/h4-6H2,1-3H3.
What are the key properties of methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate?
methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate has a molecular weight of 273.33 g/mol, XLogP of -1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate is sourced from PubChem (CID 63242882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).