ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine

C15H26N2O2S — CID 144986439

IUPACethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC.Cc1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H20N2O2S.C2H6/c1-11-3-5-12(6-4-11)14-13-7-9-15(10-8-13)18(2,16)17;1-2/h3-6,13-14H,7-10H2,1-2H3;1-2H3
InChIKeyRHUVSYXYZIUUDV-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.86
Rot. Bonds3

About ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine

ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 144986439) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID144986439
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Nameethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC.Cc1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H20N2O2S.C2H6/c1-11-3-5-12(6-4-11)14-13-7-9-15(10-8-13)18(2,16)17;1-2/h3-6,13-14H,7-10H2,1-2H3;1-2H3
InChIKeyRHUVSYXYZIUUDV-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 63669829
2-amino-5-[(1-methylsulfonylpiperidin-4-yl)amino]benzonitrile
CID 115499159
4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 90245389
2-methyl-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 43628754
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
CID 4270050
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
3-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,2,4-triamine
CID 142620981
4-chloro-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,2-diamine
CID 43628743
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine (CID 144986439) is ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine is CC.Cc1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is RHUVSYXYZIUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.C2H6/c1-11-3-5-12(6-4-11)14-13-7-9-15(10-8-13)18(2,16)17;1-2/h3-6,13-14H,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine?
ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 298.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 144986439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).