2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide

C13H21N3O2S — CID 102986774

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N1CCC[C@@H](N)C1
InChIInChI=1S/C13H21N3O2S/c1-2-15-19(17,18)13-8-4-3-7-12(13)16-9-5-6-11(14)10-16/h3-4,7-8,11,15H,2,5-6,9-10,14H2,1H3/t11-/m1/s1
InChIKeyDHTFFSDAXHHZTA-LLVKDONJSA-N
MW283.40 g/mol
LogP0.91
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide

2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide (PubChem CID 102986774) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
PubChem CID102986774
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N1CCC[C@@H](N)C1
InChIInChI=1S/C13H21N3O2S/c1-2-15-19(17,18)13-8-4-3-7-12(13)16-9-5-6-11(14)10-16/h3-4,7-8,11,15H,2,5-6,9-10,14H2,1H3/t11-/m1/s1
InChIKeyDHTFFSDAXHHZTA-LLVKDONJSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
CID 63760577
N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
CID 61146535
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-ethylbenzenesulfonamide
CID 102683641
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 115300944
2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
CID 63767418
2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
CID 89110178
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 61204074
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
CID 133355858
1-(2-methyl-3-pyridinyl)piperidin-3-amine
CID 79043598
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide (CID 102986774) is 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1N1CCC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide?
The InChIKey is DHTFFSDAXHHZTA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-15-19(17,18)13-8-4-3-7-12(13)16-9-5-6-11(14)10-16/h3-4,7-8,11,15H,2,5-6,9-10,14H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 102986774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).