N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide

C19H25N3O2S — CID 143288706

IUPACN-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(S(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O2S/c1-14(2)12-21-19(23)16-8-5-11-22(13-16)25(24)17-9-3-6-15-7-4-10-20-18(15)17/h3-4,6-7,9-10,14,16H,5,8,11-13H2,1-2H3,(H,21,23)
InChIKeyBCTLXVOAKNDJMV-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.74
Rot. Bonds5

About N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide

N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide (PubChem CID 143288706) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide
PubChem CID143288706
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(S(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O2S/c1-14(2)12-21-19(23)16-8-5-11-22(13-16)25(24)17-9-3-6-15-7-4-10-20-18(15)17/h3-4,6-7,9-10,14,16H,5,8,11-13H2,1-2H3,(H,21,23)
InChIKeyBCTLXVOAKNDJMV-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 143288729
(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085826
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 56815640
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 134799597
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
(3R)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 92897061
(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95775889

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide (CID 143288706) is N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(S(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide?
The InChIKey is BCTLXVOAKNDJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14(2)12-21-19(23)16-8-5-11-22(13-16)25(24)17-9-3-6-15-7-4-10-20-18(15)17/h3-4,6-7,9-10,14,16H,5,8,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide?
N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide is sourced from PubChem (CID 143288706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).