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

C7H13NO6S2 — CID 43704404

IUPAC2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid
SMILESCC1(NS(=O)(=O)CC(=O)O)CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO6S2/c1-7(2-3-15(11,12)5-7)8-16(13,14)4-6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyCQWKWTIXFCUDSF-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.43
Rot. Bonds4

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

2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid (PubChem CID 43704404) has the molecular formula C7H13NO6S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid
PubChem CID43704404
Molecular FormulaC7H13NO6S2
Molecular Weight271.32 g/mol
Exact Mass271.02
IUPAC Name2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid
SMILESCC1(NS(=O)(=O)CC(=O)O)CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO6S2/c1-7(2-3-15(11,12)5-7)8-16(13,14)4-6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyCQWKWTIXFCUDSF-UHFFFAOYSA-N
XLogP-1.43
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid (CID 43704404) is 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid is CC1(NS(=O)(=O)CC(=O)O)CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid?
The InChIKey is CQWKWTIXFCUDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO6S2/c1-7(2-3-15(11,12)5-7)8-16(13,14)4-6(9)10/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid?
2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,1-dioxothiolan-3-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 43704404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).