[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine

C15H24N2O2S — CID 103441530

IUPAC[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2CN)cc1C
InChIInChI=1S/C15H24N2O2S/c1-11-6-7-17(14(8-11)10-16)20(18,19)15-5-4-12(2)13(3)9-15/h4-5,9,11,14H,6-8,10,16H2,1-3H3
InChIKeyRYXVYJCHQYFUKR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.05
Rot. Bonds3

About [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine

[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine (PubChem CID 103441530) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
PubChem CID103441530
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2CN)cc1C
InChIInChI=1S/C15H24N2O2S/c1-11-6-7-17(14(8-11)10-16)20(18,19)15-5-4-12(2)13(3)9-15/h4-5,9,11,14H,6-8,10,16H2,1-3H3
InChIKeyRYXVYJCHQYFUKR-UHFFFAOYSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 107650207
[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103441467
5-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-2-fluorobenzonitrile
CID 103441561
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441489
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103352699
2-(3-chloropropyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 63400723
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine (CID 103441530) is [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine is Cc1ccc(S(=O)(=O)N2CCC(C)CC2CN)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine?
The InChIKey is RYXVYJCHQYFUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-6-7-17(14(8-11)10-16)20(18,19)15-5-4-12(2)13(3)9-15/h4-5,9,11,14H,6-8,10,16H2,1-3H3.
What are the key properties of [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine?
[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).