[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone

C14H17N3O3S2 — CID 118740223

IUPAC[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCCN1C(=O)c1ccsc1
InChIInChI=1S/C14H17N3O3S2/c1-22(19,20)12-8-15-16-13(12)11-4-2-3-6-17(11)14(18)10-5-7-21-9-10/h5,7-9,11H,2-4,6H2,1H3,(H,15,16)
InChIKeyJTWMFBGRSXRGAA-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.24
Rot. Bonds3

About [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 118740223) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID118740223
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCCN1C(=O)c1ccsc1
InChIInChI=1S/C14H17N3O3S2/c1-22(19,20)12-8-15-16-13(12)11-4-2-3-6-17(11)14(18)10-5-7-21-9-10/h5,7-9,11H,2-4,6H2,1H3,(H,15,16)
InChIKeyJTWMFBGRSXRGAA-UHFFFAOYSA-N
XLogP2.24
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(thiophene-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 97516831
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 118740347
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 118740351
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(5-methylthiophene-2-carbonyl)piperidine
CID 118740357
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 118740369
N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 86808778
N-({1-[(3-cyclohexyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}methyl)-2-thiophenesulfonamide
CID 45188467
N-{2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}thiophene-2-sulfonamide
CID 56745733
3-(1H-pyrazol-5-yl)-1-{[3-(pyrrolidin-1-ylsulfonyl)-2-thienyl]carbonyl}piperidine
CID 56751292
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 126462762
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 126467704
7-methyl-3-methylsulfonyl-6-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 123463095

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 118740223) is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone is CS(=O)(=O)c1cn[nH]c1C1CCCCN1C(=O)c1ccsc1.
What is the InChIKey of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is JTWMFBGRSXRGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-22(19,20)12-8-15-16-13(12)11-4-2-3-6-17(11)14(18)10-5-7-21-9-10/h5,7-9,11H,2-4,6H2,1H3,(H,15,16).
What are the key properties of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 2.24, 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]-thiophen-3-ylmethanone is sourced from PubChem (CID 118740223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).