4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

C15H21N3O2S2 — CID 71806417

IUPAC4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C15H21N3O2S2/c1-11-15(12(2)17(3)16-11)22(19,20)18-7-4-13(5-8-18)14-6-9-21-10-14/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyMSAGZZFCQWMEKM-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.67
Rot. Bonds3

About 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 71806417) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID71806417
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C15H21N3O2S2/c1-11-15(12(2)17(3)16-11)22(19,20)18-7-4-13(5-8-18)14-6-9-21-10-14/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyMSAGZZFCQWMEKM-UHFFFAOYSA-N
XLogP2.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (CID 71806417) is 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is MSAGZZFCQWMEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-11-15(12(2)17(3)16-11)22(19,20)18-7-4-13(5-8-18)14-6-9-21-10-14/h6,9-10,13H,4-5,7-8H2,1-3H3.
What are the key properties of 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 339.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 71806417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).