1-(2-ethylsulfonylphenyl)piperidin-4-amine

C13H20N2O2S — CID 43383320

IUPAC1-(2-ethylsulfonylphenyl)piperidin-4-amine
SMILESCCS(=O)(=O)c1ccccc1N1CCC(N)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)13-6-4-3-5-12(13)15-9-7-11(14)8-10-15/h3-6,11H,2,7-10,14H2,1H3
InChIKeyRWHZGMSHDGVKGI-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.41
Rot. Bonds3

About 1-(2-ethylsulfonylphenyl)piperidin-4-amine

1-(2-ethylsulfonylphenyl)piperidin-4-amine (PubChem CID 43383320) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-ethylsulfonylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylphenyl)piperidin-4-amine
PubChem CID43383320
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(2-ethylsulfonylphenyl)piperidin-4-amine
SMILESCCS(=O)(=O)c1ccccc1N1CCC(N)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)13-6-4-3-5-12(13)15-9-7-11(14)8-10-15/h3-6,11H,2,7-10,14H2,1H3
InChIKeyRWHZGMSHDGVKGI-UHFFFAOYSA-N
XLogP1.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylphenyl)piperidin-4-amine?
The IUPAC name of 1-(2-ethylsulfonylphenyl)piperidin-4-amine (CID 43383320) is 1-(2-ethylsulfonylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-ethylsulfonylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(2-ethylsulfonylphenyl)piperidin-4-amine is CCS(=O)(=O)c1ccccc1N1CCC(N)CC1.
What is the InChIKey of 1-(2-ethylsulfonylphenyl)piperidin-4-amine?
The InChIKey is RWHZGMSHDGVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-18(16,17)13-6-4-3-5-12(13)15-9-7-11(14)8-10-15/h3-6,11H,2,7-10,14H2,1H3.
What are the key properties of 1-(2-ethylsulfonylphenyl)piperidin-4-amine?
1-(2-ethylsulfonylphenyl)piperidin-4-amine has a molecular weight of 268.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylphenyl)piperidin-4-amine is sourced from PubChem (CID 43383320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).