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

C14H22N2O2S — CID 115313599

IUPAC1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine
SMILESCCS(=O)(=O)c1ccccc1N1CCC(N)CC1C
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)14-7-5-4-6-13(14)16-9-8-12(15)10-11(16)2/h4-7,11-12H,3,8-10,15H2,1-2H3
InChIKeyBTCZTSDNXOYUIS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.80
Rot. Bonds3

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

1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine (PubChem CID 115313599) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine
PubChem CID115313599
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine
SMILESCCS(=O)(=O)c1ccccc1N1CCC(N)CC1C
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)14-7-5-4-6-13(14)16-9-8-12(15)10-11(16)2/h4-7,11-12H,3,8-10,15H2,1-2H3
InChIKeyBTCZTSDNXOYUIS-UHFFFAOYSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine?
The IUPAC name of 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine (CID 115313599) is 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine is CCS(=O)(=O)c1ccccc1N1CCC(N)CC1C.
What is the InChIKey of 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine?
The InChIKey is BTCZTSDNXOYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)14-7-5-4-6-13(14)16-9-8-12(15)10-11(16)2/h4-7,11-12H,3,8-10,15H2,1-2H3.
What are the key properties of 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine?
1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine has a molecular weight of 282.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 115313599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).