1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one

C17H26N2O3S — CID 10088517

IUPAC1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one
SMILESCC(C)N(c1ccc(S(=O)(=O)N2CCCCC2=O)cc1)C(C)C
InChIInChI=1S/C17H26N2O3S/c1-13(2)19(14(3)4)15-8-10-16(11-9-15)23(21,22)18-12-6-5-7-17(18)20/h8-11,13-14H,5-7,12H2,1-4H3
InChIKeyNKYURIFOSFOYMJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.01
Rot. Bonds5

About 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one

1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one (PubChem CID 10088517) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one.

Molecular Properties

Compound Name1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one
PubChem CID10088517
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one
SMILESCC(C)N(c1ccc(S(=O)(=O)N2CCCCC2=O)cc1)C(C)C
InChIInChI=1S/C17H26N2O3S/c1-13(2)19(14(3)4)15-8-10-16(11-9-15)23(21,22)18-12-6-5-7-17(18)20/h8-11,13-14H,5-7,12H2,1-4H3
InChIKeyNKYURIFOSFOYMJ-UHFFFAOYSA-N
XLogP3.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(azepan-1-yl)phenyl]sulfonylpiperidin-2-one
CID 10065607
1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one
CID 19811007
1-(4-nitrophenyl)sulfonylpiperidin-2-one
CID 53406269
2-(2-oxopyrrolidin-1-yl)sulfonylanthracene-9,10-dione
CID 16805660
1-pentylsulfonylpiperidin-2-one
CID 67830653
(2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol
CID 154781272
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-(4-fluoro-3-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-one
CID 115421917
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
CID 100741484

Frequently Asked Questions

What is the IUPAC name of 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one?
The IUPAC name of 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one (CID 10088517) is 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one.
What is the SMILES notation for 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one?
The canonical SMILES for 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one is CC(C)N(c1ccc(S(=O)(=O)N2CCCCC2=O)cc1)C(C)C.
What is the InChIKey of 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one?
The InChIKey is NKYURIFOSFOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(2)19(14(3)4)15-8-10-16(11-9-15)23(21,22)18-12-6-5-7-17(18)20/h8-11,13-14H,5-7,12H2,1-4H3.
What are the key properties of 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one?
1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one has a molecular weight of 338.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one is sourced from PubChem (CID 10088517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).