[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

C17H22N4O3S2 — CID 56751292

IUPAC[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H22N4O3S2/c22-17(20-8-3-4-13(12-20)14-5-7-18-19-14)16-15(6-11-25-16)26(23,24)21-9-1-2-10-21/h5-7,11,13H,1-4,8-10,12H2,(H,18,19)
InChIKeyUVGRLLBNPUEVSW-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.28
Rot. Bonds4

About [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone (PubChem CID 56751292) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
PubChem CID56751292
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H22N4O3S2/c22-17(20-8-3-4-13(12-20)14-5-7-18-19-14)16-15(6-11-25-16)26(23,24)21-9-1-2-10-21/h5-7,11,13H,1-4,8-10,12H2,(H,18,19)
InChIKeyUVGRLLBNPUEVSW-UHFFFAOYSA-N
XLogP2.28
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone 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 [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone (CID 56751292) is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The canonical SMILES for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone is O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The InChIKey is UVGRLLBNPUEVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c22-17(20-8-3-4-13(12-20)14-5-7-18-19-14)16-15(6-11-25-16)26(23,24)21-9-1-2-10-21/h5-7,11,13H,1-4,8-10,12H2,(H,18,19).
What are the key properties of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone is sourced from PubChem (CID 56751292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).