1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine

C15H20ClN3O2S2 — CID 71781250

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine
SMILESCc1cc(C)n(CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1
InChIInChI=1S/C15H20ClN3O2S2/c1-11-9-12(2)19(17-11)10-13-5-7-18(8-6-13)23(20,21)15-4-3-14(16)22-15/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyQVGHKZFPAZHIRX-UHFFFAOYSA-N
MW373.93 g/mol
LogP3.32
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine

1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine (PubChem CID 71781250) has the molecular formula C15H20ClN3O2S2 and a molecular weight of 373.93 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine
PubChem CID71781250
Molecular FormulaC15H20ClN3O2S2
Molecular Weight373.93 g/mol
Exact Mass373.07
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine
SMILESCc1cc(C)n(CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1
InChIInChI=1S/C15H20ClN3O2S2/c1-11-9-12(2)19(17-11)10-13-5-7-18(8-6-13)23(20,21)15-4-3-14(16)22-15/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyQVGHKZFPAZHIRX-UHFFFAOYSA-N
XLogP3.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine 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 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine (CID 71781250) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine is Cc1cc(C)n(CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine?
The InChIKey is QVGHKZFPAZHIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S2/c1-11-9-12(2)19(17-11)10-13-5-7-18(8-6-13)23(20,21)15-4-3-14(16)22-15/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine has a molecular weight of 373.93 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 71781250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).