2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide

C9H11ClN2O2S — CID 79255737

IUPAC2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C9H11ClN2O2S/c10-8-2-3-11-9(6-8)7-12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,7H2
InChIKeyCVNPUBQVFKKJIC-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.27
Rot. Bonds2

About 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 79255737) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID79255737
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C9H11ClN2O2S/c10-8-2-3-11-9(6-8)7-12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,7H2
InChIKeyCVNPUBQVFKKJIC-UHFFFAOYSA-N
XLogP1.27
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,1-dioxothiazinan-2-yl)methyl]pyridine-4-carboxylic acid
CID 116814508
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-pyridinyl]hydrazine
CID 62470346
2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395515
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82747148
1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
CID 79256003
2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620084
1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79256208
4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164
[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine
CID 107878764
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
CID 43619971

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 79255737) is 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1cc(Cl)ccn1.
What is the InChIKey of 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CVNPUBQVFKKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-8-2-3-11-9(6-8)7-12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,7H2.
What are the key properties of 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 246.72 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 79255737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).