4-hydroxy-1,1-dioxothiolane-3-sulfonamide

C4H9NO5S2 — CID 16641882

IUPAC4-hydroxy-1,1-dioxothiolane-3-sulfonamide
SMILESNS(=O)(=O)C1CS(=O)(=O)CC1O
InChIInChI=1S/C4H9NO5S2/c5-12(9,10)4-2-11(7,8)1-3(4)6/h3-4,6H,1-2H2,(H2,5,9,10)
InChIKeyHRTCQJHYPBCGDX-UHFFFAOYSA-N
MW215.25 g/mol
LogP-2.57
Rot. Bonds1

About 4-hydroxy-1,1-dioxothiolane-3-sulfonamide

4-hydroxy-1,1-dioxothiolane-3-sulfonamide (PubChem CID 16641882) has the molecular formula C4H9NO5S2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-hydroxy-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-1,1-dioxothiolane-3-sulfonamide
PubChem CID16641882
Molecular FormulaC4H9NO5S2
Molecular Weight215.25 g/mol
Exact Mass214.99
IUPAC Name4-hydroxy-1,1-dioxothiolane-3-sulfonamide
SMILESNS(=O)(=O)C1CS(=O)(=O)CC1O
InChIInChI=1S/C4H9NO5S2/c5-12(9,10)4-2-11(7,8)1-3(4)6/h3-4,6H,1-2H2,(H2,5,9,10)
InChIKeyHRTCQJHYPBCGDX-UHFFFAOYSA-N
XLogP-2.57
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-2.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of 4-hydroxy-1,1-dioxothiolane-3-sulfonamide (CID 16641882) is 4-hydroxy-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for 4-hydroxy-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for 4-hydroxy-1,1-dioxothiolane-3-sulfonamide is NS(=O)(=O)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-hydroxy-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is HRTCQJHYPBCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5S2/c5-12(9,10)4-2-11(7,8)1-3(4)6/h3-4,6H,1-2H2,(H2,5,9,10).
What are the key properties of 4-hydroxy-1,1-dioxothiolane-3-sulfonamide?
4-hydroxy-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 215.25 g/mol, XLogP of -2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 16641882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).