[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C15H19N3O3S2 — CID 118740357

IUPAC[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)s1
InChIInChI=1S/C15H19N3O3S2/c1-10-6-7-12(22-10)15(19)18-8-4-3-5-11(18)14-13(9-16-17-14)23(2,20)21/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyXIZHXEGUJSLJJJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.55
Rot. Bonds3

About [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 118740357) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID118740357
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)s1
InChIInChI=1S/C15H19N3O3S2/c1-10-6-7-12(22-10)15(19)18-8-4-3-5-11(18)14-13(9-16-17-14)23(2,20)21/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyXIZHXEGUJSLJJJ-UHFFFAOYSA-N
XLogP2.55
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 118740357) is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)s1.
What is the InChIKey of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is XIZHXEGUJSLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-10-6-7-12(22-10)15(19)18-8-4-3-5-11(18)14-13(9-16-17-14)23(2,20)21/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 118740357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).