2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine

C13H20N2O2S — CID 113284464

IUPAC2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cccc(S(=O)(=O)N2CCC(N)CC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-4-3-5-13(8-10)18(16,17)15-7-6-12(14)9-11(15)2/h3-5,8,11-12H,6-7,9,14H2,1-2H3
InChIKeyMRYCXSZJRZPDGT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine

2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 113284464) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID113284464
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cccc(S(=O)(=O)N2CCC(N)CC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-4-3-5-13(8-10)18(16,17)15-7-6-12(14)9-11(15)2/h3-5,8,11-12H,6-7,9,14H2,1-2H3
InChIKeyMRYCXSZJRZPDGT-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312553
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62332456
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
CID 115312556
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
CID 115312529
2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 115312519
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
CID 124591921
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
CID 126784254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine (CID 113284464) is 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine is Cc1cccc(S(=O)(=O)N2CCC(N)CC2C)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is MRYCXSZJRZPDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-3-5-13(8-10)18(16,17)15-7-6-12(14)9-11(15)2/h3-5,8,11-12H,6-7,9,14H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine?
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 268.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 113284464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).