N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C19H25N3O3S — CID 4620051

IUPACN-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O3S/c1-19(2,3)21-18(23)15-9-6-12-22(13-15)26(24,25)16-10-4-7-14-8-5-11-20-17(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,21,23)
InChIKeyWBAVCJQQCFWSHL-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.55
Rot. Bonds3

About N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4620051) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID4620051
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O3S/c1-19(2,3)21-18(23)15-9-6-12-22(13-15)26(24,25)16-10-4-7-14-8-5-11-20-17(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,21,23)
InChIKeyWBAVCJQQCFWSHL-UHFFFAOYSA-N
XLogP2.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mitapivat
CID 59634741
8-Quinolinesulfonamide
CID 94464
N-(4-isopropylphenyl)quinoline-8-sulfonamide
CID 4093866
(S)-N-(2,5-dimethylphenyl)-1-(quinolin-8-ylsulfonyl)pyrrolidine-2-carboxamide
CID 49842897
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
CID 2870276
N-allyl-N-phenylquinoline-8-sulfonamide
CID 6621373
[4-(2-Fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5308986
N-[2-(4-fluorophenyl)ethyl]-8-quinolinesulfonamide
CID 16189761
8-(4-Methylpiperazin-1-yl)sulfonylquinoline
CID 671587
N-[4-(piperidin-1-yl)phenyl]quinoline-8-sulfonamide
CID 987219
4-Phenyl-1-(8-quinolylsulfonyl)piperazine
CID 1356333
N-[2-(azepan-1-yl)ethyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5309973

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 4620051) is N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is WBAVCJQQCFWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-19(2,3)21-18(23)15-9-6-12-22(13-15)26(24,25)16-10-4-7-14-8-5-11-20-17(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4620051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).