N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine

C15H24N2O2S — CID 63879819

IUPACN-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H24N2O2S/c1-3-16-12-14-8-4-5-10-17(14)20(18,19)15-9-6-7-13(2)11-15/h6-7,9,11,14,16H,3-5,8,10,12H2,1-2H3
InChIKeyIRWYMWCCDUONFX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds5

About N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine

N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine (PubChem CID 63879819) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
PubChem CID63879819
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H24N2O2S/c1-3-16-12-14-8-4-5-10-17(14)20(18,19)15-9-6-7-13(2)11-15/h6-7,9,11,14,16H,3-5,8,10,12H2,1-2H3
InChIKeyIRWYMWCCDUONFX-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
N-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 69081431
N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine
CID 130288052
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
1-(3-methylphenyl)sulfonyl-2-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
CID 123679283

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine (CID 63879819) is N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The InChIKey is IRWYMWCCDUONFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-16-12-14-8-4-5-10-17(14)20(18,19)15-9-6-7-13(2)11-15/h6-7,9,11,14,16H,3-5,8,10,12H2,1-2H3.
What are the key properties of N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine?
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63879819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).