4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide

C12H19N3O2S — CID 57288290

IUPAC4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide
SMILESCN1CCCCC1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O2S/c1-15-9-3-2-4-12(15)14-18(16,17)11-7-5-10(13)6-8-11/h5-8,12,14H,2-4,9,13H2,1H3
InChIKeyKAGMTSZFTYAIEM-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.99
Rot. Bonds3

About 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide

4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide (PubChem CID 57288290) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide
PubChem CID57288290
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide
SMILESCN1CCCCC1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O2S/c1-15-9-3-2-4-12(15)14-18(16,17)11-7-5-10(13)6-8-11/h5-8,12,14H,2-4,9,13H2,1H3
InChIKeyKAGMTSZFTYAIEM-UHFFFAOYSA-N
XLogP0.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide (CID 57288290) is 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide is CN1CCCCC1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide?
The InChIKey is KAGMTSZFTYAIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15-9-3-2-4-12(15)14-18(16,17)11-7-5-10(13)6-8-11/h5-8,12,14H,2-4,9,13H2,1H3.
What are the key properties of 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide?
4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 57288290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).