N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine

C14H22N2O2S — CID 114696954

IUPACN-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine
SMILESCCS(=O)(=O)c1ccc(NC2(C)CCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)13-6-4-12(5-7-13)16-14(2)8-10-15-11-9-14/h4-7,15-16H,3,8-11H2,1-2H3
InChIKeyBOHKWSVGKLHCML-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.03
Rot. Bonds4

About N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine

N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine (PubChem CID 114696954) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine
PubChem CID114696954
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine
SMILESCCS(=O)(=O)c1ccc(NC2(C)CCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)13-6-4-12(5-7-13)16-14(2)8-10-15-11-9-14/h4-7,15-16H,3,8-11H2,1-2H3
InChIKeyBOHKWSVGKLHCML-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine?
The IUPAC name of N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine (CID 114696954) is N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine is CCS(=O)(=O)c1ccc(NC2(C)CCNCC2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine?
The InChIKey is BOHKWSVGKLHCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)13-6-4-12(5-7-13)16-14(2)8-10-15-11-9-14/h4-7,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine?
N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine has a molecular weight of 282.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-4-methylpiperidin-4-amine is sourced from PubChem (CID 114696954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).