2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide

C15H25N3O2S — CID 63855104

IUPAC2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCCNCC1CCCCN1c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C15H25N3O2S/c1-3-17-12-13-8-6-7-11-18(13)14-9-4-5-10-15(14)21(19,20)16-2/h4-5,9-10,13,16-17H,3,6-8,11-12H2,1-2H3
InChIKeyCGRAXEMZFYPHNZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.56
Rot. Bonds6

About 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide

2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 63855104) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
PubChem CID63855104
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCCNCC1CCCCN1c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C15H25N3O2S/c1-3-17-12-13-8-6-7-11-18(13)14-9-4-5-10-15(14)21(19,20)16-2/h4-5,9-10,13,16-17H,3,6-8,11-12H2,1-2H3
InChIKeyCGRAXEMZFYPHNZ-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317043
2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
CID 63767418
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
CID 103353710
methyl 2-[1-(2-methylsulfonylphenyl)piperidin-2-yl]acetate
CID 62004574
methyl 1-[2-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxylate
CID 62006621
2-(bromomethyl)-1-(2-ethylsulfonylphenyl)pyrrolidine
CID 80667738
2-[2-(chloromethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 63392117
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62592879
2-[2-(aminomethyl)azepan-1-yl]-N,N-dimethylbenzenesulfonamide
CID 116640203
2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide
CID 64979148
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide (CID 63855104) is 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide is CCNCC1CCCCN1c1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is CGRAXEMZFYPHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-17-12-13-8-6-7-11-18(13)14-9-4-5-10-15(14)21(19,20)16-2/h4-5,9-10,13,16-17H,3,6-8,11-12H2,1-2H3.
What are the key properties of 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 63855104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).