1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide

C17H21N3O3S — CID 166316152

IUPAC1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C(=O)Cc2cccc3ccncc23)CC1
InChIInChI=1S/C17H21N3O3S/c1-18-24(22,23)15-6-9-20(10-7-15)17(21)11-14-4-2-3-13-5-8-19-12-16(13)14/h2-5,8,12,15,18H,6-7,9-11H2,1H3
InChIKeyKKNHJFGSKDUWQP-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.32
Rot. Bonds4

About 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide

1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide (PubChem CID 166316152) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide
PubChem CID166316152
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C(=O)Cc2cccc3ccncc23)CC1
InChIInChI=1S/C17H21N3O3S/c1-18-24(22,23)15-6-9-20(10-7-15)17(21)11-14-4-2-3-13-5-8-19-12-16(13)14/h2-5,8,12,15,18H,6-7,9-11H2,1H3
InChIKeyKKNHJFGSKDUWQP-UHFFFAOYSA-N
XLogP1.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126853257
1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)-2-(methylamino)ethanone
CID 120704322
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854
[4-[4-(isoquinolin-8-ylmethyl)azepane-1-carbonyl]-4-methylpiperidin-1-yl]-phenylmethanone
CID 132767826
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764
1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide
CID 16661921
(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide
CID 97216029

Frequently Asked Questions

What is the IUPAC name of 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide?
The IUPAC name of 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide (CID 166316152) is 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide?
The canonical SMILES for 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide is CNS(=O)(=O)C1CCN(C(=O)Cc2cccc3ccncc23)CC1.
What is the InChIKey of 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide?
The InChIKey is KKNHJFGSKDUWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-18-24(22,23)15-6-9-20(10-7-15)17(21)11-14-4-2-3-13-5-8-19-12-16(13)14/h2-5,8,12,15,18H,6-7,9-11H2,1H3.
What are the key properties of 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide?
1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide is sourced from PubChem (CID 166316152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).