2-(methanesulfonamido)pentanedioic acid

C6H11NO6S — CID 23136258

IUPAC2-(methanesulfonamido)pentanedioic acid
SMILESCS(=O)(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO6S/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyAUJMVKJHYAABAM-UHFFFAOYSA-N
MW225.22 g/mol
LogP-1.15
Rot. Bonds6

About 2-(methanesulfonamido)pentanedioic acid

2-(methanesulfonamido)pentanedioic acid (PubChem CID 23136258) has the molecular formula C6H11NO6S and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-(methanesulfonamido)pentanedioic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)pentanedioic acid
PubChem CID23136258
Molecular FormulaC6H11NO6S
Molecular Weight225.22 g/mol
Exact Mass225.03
IUPAC Name2-(methanesulfonamido)pentanedioic acid
SMILESCS(=O)(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO6S/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyAUJMVKJHYAABAM-UHFFFAOYSA-N
XLogP-1.15
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-Sulfamoyl-L-Glutamic Acid
CID 73212792
(2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane
CID 89423663
gamma-d-Glutamyl-aminomethylsulphonate
CID 129775337
Monothioglutamate
CID 129852314
(4S)-5-fluorooxy-4-(octylsulfonylamino)-5-oxopentanoic acid
CID 172738603
2-Aminopentanedioic acid;trifluoromethanesulfonic acid
CID 174852384
(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid
CID 123329075
r-d-Glutamyl aminomethylsulphonate
CID 129718919
Glutamyl-aminomethylsulphonic acid
CID 129720198
N-sulphonyl-d-glu
CID 129856692
N-(2-aminoethanesulfonyl)-(s)-glutamic acid
CID 166637349
(2S)-2-(trifluoromethylsulfonylamino)pentanedioic acid
CID 53362707

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)pentanedioic acid?
The IUPAC name of 2-(methanesulfonamido)pentanedioic acid (CID 23136258) is 2-(methanesulfonamido)pentanedioic acid.
What is the SMILES notation for 2-(methanesulfonamido)pentanedioic acid?
The canonical SMILES for 2-(methanesulfonamido)pentanedioic acid is CS(=O)(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(methanesulfonamido)pentanedioic acid?
The InChIKey is AUJMVKJHYAABAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO6S/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(methanesulfonamido)pentanedioic acid?
2-(methanesulfonamido)pentanedioic acid has a molecular weight of 225.22 g/mol, XLogP of -1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)pentanedioic acid is sourced from PubChem (CID 23136258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).