5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide

C15H17ClN2O2S — CID 22512121

IUPAC5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCCCC1
InChIInChI=1S/C15H17ClN2O2S/c1-11-14(12-5-7-13(16)8-6-12)21(19,20)17-15(11)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3
InChIKeyJJUBDKYQXMHNMS-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.30
Rot. Bonds1

About 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide

5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide (PubChem CID 22512121) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
PubChem CID22512121
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCCCC1
InChIInChI=1S/C15H17ClN2O2S/c1-11-14(12-5-7-13(16)8-6-12)21(19,20)17-15(11)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3
InChIKeyJJUBDKYQXMHNMS-UHFFFAOYSA-N
XLogP3.30
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide (CID 22512121) is 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide is CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide?
The InChIKey is JJUBDKYQXMHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-14(12-5-7-13(16)8-6-12)21(19,20)17-15(11)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide?
5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide has a molecular weight of 324.83 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).