1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine

C15H24N2O2S — CID 63249776

IUPAC1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-12-7-8-15(10-13(12)2)20(18,19)17-9-5-4-6-14(17)11-16-3/h7-8,10,14,16H,4-6,9,11H2,1-3H3
InChIKeyKYMWLBMXRDGLAM-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds4

About 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine

1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine (PubChem CID 63249776) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
PubChem CID63249776
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-12-7-8-15(10-13(12)2)20(18,19)17-9-5-4-6-14(17)11-16-3/h7-8,10,14,16H,4-6,9,11H2,1-3H3
InChIKeyKYMWLBMXRDGLAM-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990906
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
methyl 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119991348
1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63250454
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
2-(3-chloropropyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 63400723
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
1-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991298
2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride
CID 119991239
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
CID 116636629
2-chloro-4-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 124604581

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine (CID 63249776) is 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine?
The InChIKey is KYMWLBMXRDGLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-7-8-15(10-13(12)2)20(18,19)17-9-5-4-6-14(17)11-16-3/h7-8,10,14,16H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine?
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63249776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).