3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide

C11H17N3O4S2 — CID 43556327

IUPAC3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESNC1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C11H17N3O4S2/c12-9-4-6-14(7-5-9)20(17,18)11-3-1-2-10(8-11)19(13,15)16/h1-3,8-9H,4-7,12H2,(H2,13,15,16)
InChIKeyBAHRENAWKYFFIN-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.55
Rot. Bonds3

About 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide

3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 43556327) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID43556327
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESNC1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C11H17N3O4S2/c12-9-4-6-14(7-5-9)20(17,18)11-3-1-2-10(8-11)19(13,15)16/h1-3,8-9H,4-7,12H2,(H2,13,15,16)
InChIKeyBAHRENAWKYFFIN-UHFFFAOYSA-N
XLogP-0.55
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 94340343
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120998716
1-(3-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998710
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963784
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
benzene-1,3-disulfonamide
CID 3090044
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide (CID 43556327) is 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide is NC1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is BAHRENAWKYFFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c12-9-4-6-14(7-5-9)20(17,18)11-3-1-2-10(8-11)19(13,15)16/h1-3,8-9H,4-7,12H2,(H2,13,15,16).
What are the key properties of 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide?
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 43556327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).