5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

C12H19N3O3S — CID 43629467

IUPAC5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H19N3O3S/c1-14(2)10-5-7-15(8-6-10)19(17,18)11-3-4-12(16)13-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,13,16)
InChIKeyRAMGDVNVYZKKEK-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.09
Rot. Bonds3

About 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 43629467) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID43629467
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H19N3O3S/c1-14(2)10-5-7-15(8-6-10)19(17,18)11-3-4-12(16)13-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,13,16)
InChIKeyRAMGDVNVYZKKEK-UHFFFAOYSA-N
XLogP0.09
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 43629467) is 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is CN(C)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is RAMGDVNVYZKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-14(2)10-5-7-15(8-6-10)19(17,18)11-3-4-12(16)13-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,13,16).
What are the key properties of 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 285.37 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).