1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C18H18N4O3S2 — CID 5308468

IUPAC1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C18H18N4O3S2/c23-17(21-18-20-9-11-26-18)14-6-3-10-22(12-14)27(24,25)15-7-1-4-13-5-2-8-19-16(13)15/h1-2,4-5,7-9,11,14H,3,6,10,12H2,(H,20,21,23)
InChIKeyYLEPSRZYGCYFDV-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.73
Rot. Bonds4

About 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 5308468) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID5308468
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C18H18N4O3S2/c23-17(21-18-20-9-11-26-18)14-6-3-10-22(12-14)27(24,25)15-7-1-4-13-5-2-8-19-16(13)15/h1-2,4-5,7-9,11,14H,3,6,10,12H2,(H,20,21,23)
InChIKeyYLEPSRZYGCYFDV-UHFFFAOYSA-N
XLogP2.73
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 5308468) is 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is YLEPSRZYGCYFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c23-17(21-18-20-9-11-26-18)14-6-3-10-22(12-14)27(24,25)15-7-1-4-13-5-2-8-19-16(13)15/h1-2,4-5,7-9,11,14H,3,6,10,12H2,(H,20,21,23).
What are the key properties of 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 5308468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).