4-amino-1,1-dioxothiane-4-carboxylic acid

C6H11NO4S — CID 18755872

IUPAC4-amino-1,1-dioxothiane-4-carboxylic acid
SMILESNC1(C(=O)O)CCS(=O)(=O)CC1
InChIInChI=1S/C6H11NO4S/c7-6(5(8)9)1-3-12(10,11)4-2-6/h1-4,7H2,(H,8,9)
InChIKeyFANFYQGRZWKLBT-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.02
Rot. Bonds1

About 4-amino-1,1-dioxothiane-4-carboxylic acid

4-amino-1,1-dioxothiane-4-carboxylic acid (PubChem CID 18755872) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-amino-1,1-dioxothiane-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1,1-dioxothiane-4-carboxylic acid
PubChem CID18755872
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name4-amino-1,1-dioxothiane-4-carboxylic acid
SMILESNC1(C(=O)O)CCS(=O)(=O)CC1
InChIInChI=1S/C6H11NO4S/c7-6(5(8)9)1-3-12(10,11)4-2-6/h1-4,7H2,(H,8,9)
InChIKeyFANFYQGRZWKLBT-UHFFFAOYSA-N
XLogP-1.02
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1-dioxothiane-4-carboxylic acid?
The IUPAC name of 4-amino-1,1-dioxothiane-4-carboxylic acid (CID 18755872) is 4-amino-1,1-dioxothiane-4-carboxylic acid.
What is the SMILES notation for 4-amino-1,1-dioxothiane-4-carboxylic acid?
The canonical SMILES for 4-amino-1,1-dioxothiane-4-carboxylic acid is NC1(C(=O)O)CCS(=O)(=O)CC1.
What is the InChIKey of 4-amino-1,1-dioxothiane-4-carboxylic acid?
The InChIKey is FANFYQGRZWKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c7-6(5(8)9)1-3-12(10,11)4-2-6/h1-4,7H2,(H,8,9).
What are the key properties of 4-amino-1,1-dioxothiane-4-carboxylic acid?
4-amino-1,1-dioxothiane-4-carboxylic acid has a molecular weight of 193.22 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1-dioxothiane-4-carboxylic acid is sourced from PubChem (CID 18755872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).