3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride

C6H12ClNO4S2 — CID 91714772

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCCS1(=O)=O
InChIInChI=1S/C6H12ClNO4S2/c7-13(9,10)5-1-3-8-4-2-6-14(8,11)12/h1-6H2
InChIKeyQIXDPKKNMBGINU-UHFFFAOYSA-N
MW261.75 g/mol
LogP-0.02
Rot. Bonds4

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride

3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride (PubChem CID 91714772) has the molecular formula C6H12ClNO4S2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride
PubChem CID91714772
Molecular FormulaC6H12ClNO4S2
Molecular Weight261.75 g/mol
Exact Mass260.99
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCCS1(=O)=O
InChIInChI=1S/C6H12ClNO4S2/c7-13(9,10)5-1-3-8-4-2-6-14(8,11)12/h1-6H2
InChIKeyQIXDPKKNMBGINU-UHFFFAOYSA-N
XLogP-0.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride (CID 91714772) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCN1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride?
The InChIKey is QIXDPKKNMBGINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO4S2/c7-13(9,10)5-1-3-8-4-2-6-14(8,11)12/h1-6H2.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride has a molecular weight of 261.75 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 91714772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).