[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine

C16H26N2O2S — CID 103352699

IUPAC[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CC)CC2CN)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-13-5-7-16(8-6-13)21(19,20)18-10-9-14(4-2)11-15(18)12-17/h5-8,14-15H,3-4,9-12,17H2,1-2H3
InChIKeyIOZYBOJJZMQXRC-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.39
Rot. Bonds5

About [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine

[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 103352699) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine
PubChem CID103352699
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CC)CC2CN)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-13-5-7-16(8-6-13)21(19,20)18-10-9-14(4-2)11-15(18)12-17/h5-8,14-15H,3-4,9-12,17H2,1-2H3
InChIKeyIOZYBOJJZMQXRC-UHFFFAOYSA-N
XLogP2.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352759
(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine
CID 103352691
[1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352807
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103441467
[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441530
[1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120876159
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine (CID 103352699) is [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine is CCc1ccc(S(=O)(=O)N2CCC(CC)CC2CN)cc1.
What is the InChIKey of [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is IOZYBOJJZMQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-13-5-7-16(8-6-13)21(19,20)18-10-9-14(4-2)11-15(18)12-17/h5-8,14-15H,3-4,9-12,17H2,1-2H3.
What are the key properties of [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine?
[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 310.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103352699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).