2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid

C9H17NO6S2 — CID 61454198

IUPAC2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H17NO6S2/c1-3-10(8-4-5-17(13,14)6-8)18(15,16)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyFEVAZVDYDROKID-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.70
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid

2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid (PubChem CID 61454198) has the molecular formula C9H17NO6S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid
PubChem CID61454198
Molecular FormulaC9H17NO6S2
Molecular Weight299.37 g/mol
Exact Mass299.05
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H17NO6S2/c1-3-10(8-4-5-17(13,14)6-8)18(15,16)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyFEVAZVDYDROKID-UHFFFAOYSA-N
XLogP-0.70
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-ethylamino]propanoic acid
CID 20986140
2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324
1-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylmethanesulfonamide
CID 83084951
N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152337
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
2-(1,1-dioxothiolan-3-yl)sulfonylpropanoic acid
CID 61057238
2-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 20985922
3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43242228
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
CID 7260297
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpropanoic acid
CID 43648891

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid (CID 61454198) is 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid?
The InChIKey is FEVAZVDYDROKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S2/c1-3-10(8-4-5-17(13,14)6-8)18(15,16)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid?
2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 61454198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).