2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid

C8H15NO6S2 — CID 61263407

IUPAC2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)C1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C8H15NO6S2/c1-8(2,7(10)11)9-17(14,15)6-3-4-16(12,13)5-6/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyALDNJPDIBKGYIO-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.04
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid

2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61263407) has the molecular formula C8H15NO6S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61263407
Molecular FormulaC8H15NO6S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC Name2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)C1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C8H15NO6S2/c1-8(2,7(10)11)9-17(14,15)6-3-4-16(12,13)5-6/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyALDNJPDIBKGYIO-UHFFFAOYSA-N
XLogP-1.04
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-1,1-dioxo-1lambda6-thiolane-3-carboxylic acid
CID 63166517
2-[(1,1-Dioxothian-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790470
2-[(1,1-Dioxothiolan-3-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793416
3-(4,4,4-Trifluorobutylsulfonylamino)thiolane-3-carboxylic acid
CID 83068767
2-Amino-3-methanesulfonyl-2-methylpropanoic acid
CID 21402525
(2S)-2-amino-2-methyl-3-methylsulfonylpropanoic acid
CID 57055819
2-(Thiolan-2-ylsulfonylamino)butanoic acid
CID 141822662
2-[(1,1-Dioxothiolan-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43169497
2-[(1,1-Dioxothiolan-3-yl)sulfonylamino]propanoic acid
CID 43351311
2-[(1,1-Dioxothiolan-3-yl)sulfonylamino]butanoic acid
CID 43427550
2-[(1,1-Dioxothiolan-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 43619234
2-[(3-Methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid
CID 43704404

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid (CID 61263407) is 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid is CC(C)(NS(=O)(=O)C1CCS(=O)(=O)C1)C(=O)O.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is ALDNJPDIBKGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S2/c1-8(2,7(10)11)9-17(14,15)6-3-4-16(12,13)5-6/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid?
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 285.34 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61263407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).