2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide

C15H25N3O2S — CID 63767418

IUPAC2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N1CCCCC1CCN
InChIInChI=1S/C15H25N3O2S/c1-2-17-21(19,20)15-9-4-3-8-14(15)18-12-6-5-7-13(18)10-11-16/h3-4,8-9,13,17H,2,5-7,10-12,16H2,1H3
InChIKeyHBQJZRXXOXALOL-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide

2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide (PubChem CID 63767418) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
PubChem CID63767418
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N1CCCCC1CCN
InChIInChI=1S/C15H25N3O2S/c1-2-17-21(19,20)15-9-4-3-8-14(15)18-12-6-5-7-13(18)10-11-16/h3-4,8-9,13,17H,2,5-7,10-12,16H2,1H3
InChIKeyHBQJZRXXOXALOL-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63855104
2-[1-(2-chlorophenyl)piperidin-2-yl]ethanamine
CID 82388545
2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
2-[2-(aminomethyl)azepan-1-yl]-N,N-dimethylbenzenesulfonamide
CID 116640203
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
CID 102986774
N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317043
2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline
CID 83052383
3-[1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-2-yl]propan-1-amine
CID 63760645
2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
CID 63760577
N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
CID 61146535
2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
CID 61146696
2-(bromomethyl)-1-(2-ethylsulfonylphenyl)pyrrolidine
CID 80667738

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide (CID 63767418) is 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1N1CCCCC1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide?
The InChIKey is HBQJZRXXOXALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-17-21(19,20)15-9-4-3-8-14(15)18-12-6-5-7-13(18)10-11-16/h3-4,8-9,13,17H,2,5-7,10-12,16H2,1H3.
What are the key properties of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide?
2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 63767418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).