[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide

C16H18N4O2S — CID 71985391

IUPAC[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide
SMILESN#Cc1cc(N2CCC(CS(N)(=O)=O)CC2)nc2ccccc12
InChIInChI=1S/C16H18N4O2S/c17-10-13-9-16(19-15-4-2-1-3-14(13)15)20-7-5-12(6-8-20)11-23(18,21)22/h1-4,9,12H,5-8,11H2,(H2,18,21,22)
InChIKeyVYUUNWYNYRWDEJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.61
Rot. Bonds3

About [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide

[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 71985391) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide
PubChem CID71985391
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide
SMILESN#Cc1cc(N2CCC(CS(N)(=O)=O)CC2)nc2ccccc12
InChIInChI=1S/C16H18N4O2S/c17-10-13-9-16(19-15-4-2-1-3-14(13)15)20-7-5-12(6-8-20)11-23(18,21)22/h1-4,9,12H,5-8,11H2,(H2,18,21,22)
InChIKeyVYUUNWYNYRWDEJ-UHFFFAOYSA-N
XLogP1.61
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide (CID 71985391) is [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide is N#Cc1cc(N2CCC(CS(N)(=O)=O)CC2)nc2ccccc12.
What is the InChIKey of [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is VYUUNWYNYRWDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c17-10-13-9-16(19-15-4-2-1-3-14(13)15)20-7-5-12(6-8-20)11-23(18,21)22/h1-4,9,12H,5-8,11H2,(H2,18,21,22).
What are the key properties of [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide?
[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 71985391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).