[1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

C20H25N3O3S — CID 16609666

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-16(2)21-19-10-6-7-13-23(19)20(24)17-11-14-22(15-12-17)27(25,26)18-8-4-3-5-9-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3/b21-19+
InChIKeyQMYBNJHLXKNQOB-XUTLUUPISA-N
MW387.51 g/mol
LogP2.54
Rot. Bonds4

About [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

[1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 16609666) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID16609666
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-16(2)21-19-10-6-7-13-23(19)20(24)17-11-14-22(15-12-17)27(25,26)18-8-4-3-5-9-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3/b21-19+
InChIKeyQMYBNJHLXKNQOB-XUTLUUPISA-N
XLogP2.54
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 16609666) is [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is QMYBNJHLXKNQOB-XUTLUUPISA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16(2)21-19-10-6-7-13-23(19)20(24)17-11-14-22(15-12-17)27(25,26)18-8-4-3-5-9-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3/b21-19+.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 387.51 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 16609666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).