1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone

C24H31N3O3S — CID 46696463

IUPAC1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C24H31N3O3S/c28-24(27-18-8-5-11-23(27)25-21-9-3-1-4-10-21)19-20-12-14-22(15-13-20)31(29,30)26-16-6-2-7-17-26/h5,8,11-15,18,21H,1-4,6-7,9-10,16-17,19H2/b25-23+
InChIKeyPMWXVMKDMKUYID-WJTDDFOZSA-N
MW441.60 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone

1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 46696463) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID46696463
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C24H31N3O3S/c28-24(27-18-8-5-11-23(27)25-21-9-3-1-4-10-21)19-20-12-14-22(15-13-20)31(29,30)26-16-6-2-7-17-26/h5,8,11-15,18,21H,1-4,6-7,9-10,16-17,19H2/b25-23+
InChIKeyPMWXVMKDMKUYID-WJTDDFOZSA-N
XLogP3.78
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 46696463) is 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is PMWXVMKDMKUYID-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H31N3O3S/c28-24(27-18-8-5-11-23(27)25-21-9-3-1-4-10-21)19-20-12-14-22(15-13-20)31(29,30)26-16-6-2-7-17-26/h5,8,11-15,18,21H,1-4,6-7,9-10,16-17,19H2/b25-23+.
What are the key properties of 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone?
1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 441.60 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 46696463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).