1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C20H21N3O3S2 — CID 5308079

IUPAC1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C20H21N3O3S2/c24-20(22-13-17-8-4-12-27-17)16-7-3-11-23(14-16)28(25,26)18-9-1-5-15-6-2-10-21-19(15)18/h1-2,4-6,8-10,12,16H,3,7,11,13-14H2,(H,22,24)
InChIKeyUWAHILAOAGGIEQ-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.01
Rot. Bonds5

About 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 5308079) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID5308079
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C20H21N3O3S2/c24-20(22-13-17-8-4-12-27-17)16-7-3-11-23(14-16)28(25,26)18-9-1-5-15-6-2-10-21-19(15)18/h1-2,4-6,8-10,12,16H,3,7,11,13-14H2,(H,22,24)
InChIKeyUWAHILAOAGGIEQ-UHFFFAOYSA-N
XLogP3.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 5308079) is 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UWAHILAOAGGIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c24-20(22-13-17-8-4-12-27-17)16-7-3-11-23(14-16)28(25,26)18-9-1-5-15-6-2-10-21-19(15)18/h1-2,4-6,8-10,12,16H,3,7,11,13-14H2,(H,22,24).
What are the key properties of 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).