(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C24H27N3O3S — CID 24618920

IUPAC(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H27N3O3S/c1-18(2)25-23-9-5-6-14-27(23)24(28)20-12-15-26(16-13-20)31(29,30)22-11-10-19-7-3-4-8-21(19)17-22/h3-11,14,17-18,20H,12-13,15-16H2,1-2H3/b25-23+
InChIKeyJPULBOQDZNOBQB-WJTDDFOZSA-N
MW437.57 g/mol
LogP3.69
Rot. Bonds4

About (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 24618920) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID24618920
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H27N3O3S/c1-18(2)25-23-9-5-6-14-27(23)24(28)20-12-15-26(16-13-20)31(29,30)22-11-10-19-7-3-4-8-21(19)17-22/h3-11,14,17-18,20H,12-13,15-16H2,1-2H3/b25-23+
InChIKeyJPULBOQDZNOBQB-WJTDDFOZSA-N
XLogP3.69
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8151863
(2-Cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 41669159
(2-Cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 46509250
N-butyl-N-ethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 17466005
5-(5,6,7,8-Tetrahydronaphthalene-2-sulfonyl)-1,5,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91632468
N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 8795434
1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide
CID 8795441
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795468
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795478
[1-(Benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 16609666
[1-(4-Methylphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 16609669

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 24618920) is (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is JPULBOQDZNOBQB-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-18(2)25-23-9-5-6-14-27(23)24(28)20-12-15-26(16-13-20)31(29,30)22-11-10-19-7-3-4-8-21(19)17-22/h3-11,14,17-18,20H,12-13,15-16H2,1-2H3/b25-23+.
What are the key properties of (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 437.57 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 24618920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).