3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine

C13H20N2O2S — CID 107070797

IUPAC3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine
SMILESCc1ccccc1S(=O)(=O)N1CCCC(C)C1N
InChIInChI=1S/C13H20N2O2S/c1-10-6-3-4-8-12(10)18(16,17)15-9-5-7-11(2)13(15)14/h3-4,6,8,11,13H,5,7,9,14H2,1-2H3
InChIKeyAZQFSVSICNAEMO-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.70
Rot. Bonds2

About 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine

3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine (PubChem CID 107070797) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine
PubChem CID107070797
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine
SMILESCc1ccccc1S(=O)(=O)N1CCCC(C)C1N
InChIInChI=1S/C13H20N2O2S/c1-10-6-3-4-8-12(10)18(16,17)15-9-5-7-11(2)13(15)14/h3-4,6,8,11,13H,5,7,9,14H2,1-2H3
InChIKeyAZQFSVSICNAEMO-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methyl-6-nitrophenyl)sulfonylpiperidin-2-amine
CID 107070815
2-(3-bromopropyl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 80675411
1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
CID 62122855
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809457
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070785
2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine
CID 115671977
2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine
CID 174367697
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070692
3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
CID 107070709
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809472
(2R)-1-(2-methylphenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502924

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine?
The IUPAC name of 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine (CID 107070797) is 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine is Cc1ccccc1S(=O)(=O)N1CCCC(C)C1N.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine?
The InChIKey is AZQFSVSICNAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-6-3-4-8-12(10)18(16,17)15-9-5-7-11(2)13(15)14/h3-4,6,8,11,13H,5,7,9,14H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine?
3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine has a molecular weight of 268.38 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine is sourced from PubChem (CID 107070797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).