(3S)-1,1-dioxothiolane-3-sulfonamide

C4H9NO4S2 — CID 2506590

IUPAC(3S)-1,1-dioxothiolane-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h4H,1-3H2,(H2,5,8,9)/t4-/m0/s1
InChIKeyBVMJOOFLVVQAET-BYPYZUCNSA-N
MW199.25 g/mol
LogP-1.54
Rot. Bonds1

About (3S)-1,1-dioxothiolane-3-sulfonamide

(3S)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 2506590) has the molecular formula C4H9NO4S2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3S)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1,1-dioxothiolane-3-sulfonamide
PubChem CID2506590
Molecular FormulaC4H9NO4S2
Molecular Weight199.25 g/mol
Exact Mass199.00
IUPAC Name(3S)-1,1-dioxothiolane-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h4H,1-3H2,(H2,5,8,9)/t4-/m0/s1
InChIKeyBVMJOOFLVVQAET-BYPYZUCNSA-N
XLogP-1.54
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of (3S)-1,1-dioxothiolane-3-sulfonamide (CID 2506590) is (3S)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for (3S)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for (3S)-1,1-dioxothiolane-3-sulfonamide is NS(=O)(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is BVMJOOFLVVQAET-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9NO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h4H,1-3H2,(H2,5,8,9)/t4-/m0/s1.
What are the key properties of (3S)-1,1-dioxothiolane-3-sulfonamide?
(3S)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 199.25 g/mol, XLogP of -1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 2506590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).