5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine

C21H30ClN5O2S2 — CID 59178876

IUPAC5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4cc(Cl)ccc4S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C21H30ClN5O2S2/c1-25(2)20-23-21(30-24-20)27-12-8-16(9-13-27)15-6-10-26(11-7-15)18-14-17(22)4-5-19(18)31(3,28)29/h4-5,14-16H,6-13H2,1-3H3
InChIKeyZZLIMCZKIJUCSX-UHFFFAOYSA-N
MW484.09 g/mol
LogP3.79
Rot. Bonds5

About 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine

5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine (PubChem CID 59178876) has the molecular formula C21H30ClN5O2S2 and a molecular weight of 484.09 g/mol. Its IUPAC name is 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
PubChem CID59178876
Molecular FormulaC21H30ClN5O2S2
Molecular Weight484.09 g/mol
Exact Mass483.15
IUPAC Name5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4cc(Cl)ccc4S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C21H30ClN5O2S2/c1-25(2)20-23-21(30-24-20)27-12-8-16(9-13-27)15-6-10-26(11-7-15)18-14-17(22)4-5-19(18)31(3,28)29/h4-5,14-16H,6-13H2,1-3H3
InChIKeyZZLIMCZKIJUCSX-UHFFFAOYSA-N
XLogP3.79
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.09
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine 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-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine (CID 59178876) is 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine is CN(C)c1nsc(N2CCC(C3CCN(c4cc(Cl)ccc4S(C)(=O)=O)CC3)CC2)n1.
What is the InChIKey of 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The InChIKey is ZZLIMCZKIJUCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O2S2/c1-25(2)20-23-21(30-24-20)27-12-8-16(9-13-27)15-6-10-26(11-7-15)18-14-17(22)4-5-19(18)31(3,28)29/h4-5,14-16H,6-13H2,1-3H3.
What are the key properties of 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine has a molecular weight of 484.09 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 59178876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).