5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride

C4H8ClNO4S2 — CID 55279912

IUPAC5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride
SMILESCC1CCN(S(=O)(=O)Cl)S1(=O)=O
InChIInChI=1S/C4H8ClNO4S2/c1-4-2-3-6(11(4,7)8)12(5,9)10/h4H,2-3H2,1H3
InChIKeyLAMKFLQHDORNJT-UHFFFAOYSA-N
MW233.70 g/mol
LogP-0.11
Rot. Bonds1

About 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride

5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride (PubChem CID 55279912) has the molecular formula C4H8ClNO4S2 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride
PubChem CID55279912
Molecular FormulaC4H8ClNO4S2
Molecular Weight233.70 g/mol
Exact Mass232.96
IUPAC Name5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride
SMILESCC1CCN(S(=O)(=O)Cl)S1(=O)=O
InChIInChI=1S/C4H8ClNO4S2/c1-4-2-3-6(11(4,7)8)12(5,9)10/h4H,2-3H2,1H3
InChIKeyLAMKFLQHDORNJT-UHFFFAOYSA-N
XLogP-0.11
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride?
The IUPAC name of 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride (CID 55279912) is 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride.
What is the SMILES notation for 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride?
The canonical SMILES for 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride is CC1CCN(S(=O)(=O)Cl)S1(=O)=O.
What is the InChIKey of 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride?
The InChIKey is LAMKFLQHDORNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO4S2/c1-4-2-3-6(11(4,7)8)12(5,9)10/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride?
5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride has a molecular weight of 233.70 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-dioxo-1,2-thiazolidine-2-sulfonyl chloride is sourced from PubChem (CID 55279912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).