2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide

C13H22N4O2S — CID 115992384

IUPAC2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide
SMILESCN(C)C1CCN(c2cccc(S(N)(=O)=O)c2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)10-6-8-17(9-7-10)11-4-3-5-12(13(11)14)20(15,18)19/h3-5,10H,6-9,14H2,1-2H3,(H2,15,18,19)
InChIKeyFXFHVIQAMFEOSB-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.45
Rot. Bonds3

About 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide

2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide (PubChem CID 115992384) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide
PubChem CID115992384
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide
SMILESCN(C)C1CCN(c2cccc(S(N)(=O)=O)c2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)10-6-8-17(9-7-10)11-4-3-5-12(13(11)14)20(15,18)19/h3-5,10H,6-9,14H2,1-2H3,(H2,15,18,19)
InChIKeyFXFHVIQAMFEOSB-UHFFFAOYSA-N
XLogP0.45
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide (CID 115992384) is 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide is CN(C)C1CCN(c2cccc(S(N)(=O)=O)c2N)CC1.
What is the InChIKey of 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide?
The InChIKey is FXFHVIQAMFEOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16(2)10-6-8-17(9-7-10)11-4-3-5-12(13(11)14)20(15,18)19/h3-5,10H,6-9,14H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide?
2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 115992384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).