1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine

C15H24N2O2S — CID 43605392

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCCC(N)C2)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-8-11(2)13(4)15(12(10)3)20(18,19)17-7-5-6-14(16)9-17/h8,14H,5-7,9,16H2,1-4H3
InChIKeyFICFUYSHYUDYGQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.03
Rot. Bonds2

About 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine

1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine (PubChem CID 43605392) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
PubChem CID43605392
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCCC(N)C2)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-8-11(2)13(4)15(12(10)3)20(18,19)17-7-5-6-14(16)9-17/h8,14H,5-7,9,16H2,1-4H3
InChIKeyFICFUYSHYUDYGQ-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethyl-4-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959462
1-(2,3-dimethyl-6-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959880
1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine
CID 120705993
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984054
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
5-(3-aminopiperidin-1-yl)sulfonyl-2,4-dimethylbenzoic acid
CID 61404039
3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106505482
1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706103
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
CID 124517018
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119409749

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine (CID 43605392) is 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCCC(N)C2)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is FICFUYSHYUDYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-8-11(2)13(4)15(12(10)3)20(18,19)17-7-5-6-14(16)9-17/h8,14H,5-7,9,16H2,1-4H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine?
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine has a molecular weight of 296.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 43605392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).