5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide

C14H23N3O2S — CID 103286576

IUPAC5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CC(C)CC(C)C1
InChIInChI=1S/C14H23N3O2S/c1-10-6-11(2)9-17(8-10)13-5-4-12(15)7-14(13)20(18,19)16-3/h4-5,7,10-11,16H,6,8-9,15H2,1-3H3
InChIKeyIOMJCVHDUIUQLA-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.66
Rot. Bonds3

About 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide

5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 103286576) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID103286576
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CC(C)CC(C)C1
InChIInChI=1S/C14H23N3O2S/c1-10-6-11(2)9-17(8-10)13-5-4-12(15)7-14(13)20(18,19)16-3/h4-5,7,10-11,16H,6,8-9,15H2,1-3H3
InChIKeyIOMJCVHDUIUQLA-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide (CID 103286576) is 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1N1CC(C)CC(C)C1.
What is the InChIKey of 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is IOMJCVHDUIUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-6-11(2)9-17(8-10)13-5-4-12(15)7-14(13)20(18,19)16-3/h4-5,7,10-11,16H,6,8-9,15H2,1-3H3.
What are the key properties of 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide?
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).