2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid

C8H15NO6S2 — CID 60675324

IUPAC2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
SMILESCCS(=O)(=O)N(CC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO6S2/c1-2-17(14,15)9(5-8(10)11)7-3-4-16(12,13)6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyTVFOUKCYHZMJEP-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.09
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid

2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid (PubChem CID 60675324) has the molecular formula C8H15NO6S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
PubChem CID60675324
Molecular FormulaC8H15NO6S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
SMILESCCS(=O)(=O)N(CC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO6S2/c1-2-17(14,15)9(5-8(10)11)7-3-4-16(12,13)6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyTVFOUKCYHZMJEP-UHFFFAOYSA-N
XLogP-1.09
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 54918049
2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61456599
2-[(1,1-dioxothiolan-3-yl)-(trifluoromethylsulfonyl)amino]acetic acid
CID 54925507
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 105360727
2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethylsulfamoyl)amino]acetic acid
CID 114814426
2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid
CID 60829293
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
2-[[(3R)-1,1-dioxothiolan-3-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 129360384
2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid
CID 61454198
2-[(1,1-dioxothiolan-3-yl)-heptylamino]acetic acid
CID 60840580
1-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylmethanesulfonamide
CID 83084951

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid (CID 60675324) is 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid is CCS(=O)(=O)N(CC(=O)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid?
The InChIKey is TVFOUKCYHZMJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S2/c1-2-17(14,15)9(5-8(10)11)7-3-4-16(12,13)6-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid?
2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of -1.09, 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)-ethylsulfonylamino]acetic acid is sourced from PubChem (CID 60675324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).