[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine

C15H24N2O2S — CID 62332486

IUPAC[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
SMILESCC1CCN(S(=O)(=O)Cc2cccc(CN)c2)C(C)C1
InChIInChI=1S/C15H24N2O2S/c1-12-6-7-17(13(2)8-12)20(18,19)11-15-5-3-4-14(9-15)10-16/h3-5,9,12-13H,6-8,10-11,16H2,1-2H3
InChIKeyFXQIJEPOZOZEJC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.10
Rot. Bonds4

About [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine

[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine (PubChem CID 62332486) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
PubChem CID62332486
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
SMILESCC1CCN(S(=O)(=O)Cc2cccc(CN)c2)C(C)C1
InChIInChI=1S/C15H24N2O2S/c1-12-6-7-17(13(2)8-12)20(18,19)11-15-5-3-4-14(9-15)10-16/h3-5,9,12-13H,6-8,10-11,16H2,1-2H3
InChIKeyFXQIJEPOZOZEJC-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446893
4-[[3-(aminomethyl)phenyl]methylsulfonyl]-3-methylpiperazin-2-one
CID 63607027
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480272
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62332456
1-[[3-(aminomethyl)phenyl]methylsulfonyl]piperidin-3-ol
CID 54885391
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
CID 63623208
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078
[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine
CID 103441395
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine (CID 62332486) is [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine is CC1CCN(S(=O)(=O)Cc2cccc(CN)c2)C(C)C1.
What is the InChIKey of [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is FXQIJEPOZOZEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-6-7-17(13(2)8-12)20(18,19)11-15-5-3-4-14(9-15)10-16/h3-5,9,12-13H,6-8,10-11,16H2,1-2H3.
What are the key properties of [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine?
[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 62332486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).