1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one

C17H24N2O3S — CID 91938381

IUPAC1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one
SMILESCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C17H24N2O3S/c1-17(2)12-16(20)18(3)15-8-7-13(11-14(15)17)23(21,22)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyVVHZPVRMRCMKCD-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.51
Rot. Bonds2

About 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one

1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one (PubChem CID 91938381) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one.

Molecular Properties

Compound Name1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one
PubChem CID91938381
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one
SMILESCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C17H24N2O3S/c1-17(2)12-16(20)18(3)15-8-7-13(11-14(15)17)23(21,22)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyVVHZPVRMRCMKCD-UHFFFAOYSA-N
XLogP2.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 91954008
N-(1,3-benzothiazol-2-yl)-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide
CID 91938372
1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
CID 20938186
1,4,4-trimethyl-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3H-quinoline-6-sulfonamide
CID 91958551
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
CID 22519310
6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
CID 119055603
4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 141196357
2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde
CID 53220683
N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide
CID 91958647
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one?
The IUPAC name of 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one (CID 91938381) is 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one.
What is the SMILES notation for 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one?
The canonical SMILES for 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one is CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one?
The InChIKey is VVHZPVRMRCMKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-17(2)12-16(20)18(3)15-8-7-13(11-14(15)17)23(21,22)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one?
1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one is sourced from PubChem (CID 91938381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).