2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid

C6H13NO6S2 — CID 79850757

IUPAC2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H13NO6S2/c1-7(3-4-14(2,10)11)15(12,13)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyFERGNNVDQLFEAP-UHFFFAOYSA-N
MW259.30 g/mol
LogP-1.62
Rot. Bonds6

About 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid

2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid (PubChem CID 79850757) has the molecular formula C6H13NO6S2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid
PubChem CID79850757
Molecular FormulaC6H13NO6S2
Molecular Weight259.30 g/mol
Exact Mass259.02
IUPAC Name2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H13NO6S2/c1-7(3-4-14(2,10)11)15(12,13)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyFERGNNVDQLFEAP-UHFFFAOYSA-N
XLogP-1.62
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid (CID 79850757) is 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid is CN(CCS(C)(=O)=O)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid?
The InChIKey is FERGNNVDQLFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO6S2/c1-7(3-4-14(2,10)11)15(12,13)5-6(8)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid?
2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid has a molecular weight of 259.30 g/mol, XLogP of -1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfonylethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 79850757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).