1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine

C15H24N2O2S — CID 61170389

IUPAC1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine
SMILESCCN1CCCC(Nc2ccc(S(=O)(=O)CC)cc2)C1
InChIInChI=1S/C15H24N2O2S/c1-3-17-11-5-6-14(12-17)16-13-7-9-15(10-8-13)20(18,19)4-2/h7-10,14,16H,3-6,11-12H2,1-2H3
InChIKeyULAMKHAZGKWJQF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.38
Rot. Bonds5

About 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine

1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine (PubChem CID 61170389) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine
PubChem CID61170389
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine
SMILESCCN1CCCC(Nc2ccc(S(=O)(=O)CC)cc2)C1
InChIInChI=1S/C15H24N2O2S/c1-3-17-11-5-6-14(12-17)16-13-7-9-15(10-8-13)20(18,19)4-2/h7-10,14,16H,3-6,11-12H2,1-2H3
InChIKeyULAMKHAZGKWJQF-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
CID 61170390
1-N-(1-ethylpiperidin-3-yl)-4-methylsulfonylbenzene-1,2-diamine
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N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
(4S)-N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 124512282
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
CID 43689650
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
CID 154333311
4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
CID 113467284
3-(4-ethylsulfonylanilino)cyclohexane-1-carboxylic acid
CID 63042415
1-[4-(cyclopentylsulfamoyl)phenyl]-3-(1-ethylpiperidin-3-yl)urea
CID 119045061

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine?
The IUPAC name of 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine (CID 61170389) is 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine is CCN1CCCC(Nc2ccc(S(=O)(=O)CC)cc2)C1.
What is the InChIKey of 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine?
The InChIKey is ULAMKHAZGKWJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-17-11-5-6-14(12-17)16-13-7-9-15(10-8-13)20(18,19)4-2/h7-10,14,16H,3-6,11-12H2,1-2H3.
What are the key properties of 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine?
1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine has a molecular weight of 296.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine is sourced from PubChem (CID 61170389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).