1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one

C16H23N3O3S — CID 119969465

IUPAC1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
SMILESNCC1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H23N3O3S/c17-12-14-4-1-2-11-19(14)23(21,22)15-8-6-13(7-9-15)18-10-3-5-16(18)20/h6-9,14H,1-5,10-12,17H2
InChIKeyZEZQXPFUIOZPSK-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.32
Rot. Bonds4

About 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one

1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one (PubChem CID 119969465) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
PubChem CID119969465
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
SMILESNCC1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H23N3O3S/c17-12-14-4-1-2-11-19(14)23(21,22)15-8-6-13(7-9-15)18-10-3-5-16(18)20/h6-9,14H,1-5,10-12,17H2
InChIKeyZEZQXPFUIOZPSK-UHFFFAOYSA-N
XLogP1.32
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 17175034
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
CID 71653935
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 51320556
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 128977330
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284421
4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120707986

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one (CID 119969465) is 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one is NCC1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is ZEZQXPFUIOZPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-12-14-4-1-2-11-19(14)23(21,22)15-8-6-13(7-9-15)18-10-3-5-16(18)20/h6-9,14H,1-5,10-12,17H2.
What are the key properties of 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 337.45 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 119969465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).