2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide

C14H23N3O2S — CID 114592056

IUPAC2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CC(C)C(C)N(c2ccc(S(N)(=O)=O)c(N)c2)C1
InChIInChI=1S/C14H23N3O2S/c1-9-6-10(2)11(3)17(8-9)12-4-5-14(13(15)7-12)20(16,18)19/h4-5,7,9-11H,6,8,15H2,1-3H3,(H2,16,18,19)
InChIKeyOCWSCLPDFIYSGR-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide

2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide (PubChem CID 114592056) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
PubChem CID114592056
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CC(C)C(C)N(c2ccc(S(N)(=O)=O)c(N)c2)C1
InChIInChI=1S/C14H23N3O2S/c1-9-6-10(2)11(3)17(8-9)12-4-5-14(13(15)7-12)20(16,18)19/h4-5,7,9-11H,6,8,15H2,1-3H3,(H2,16,18,19)
InChIKeyOCWSCLPDFIYSGR-UHFFFAOYSA-N
XLogP1.79
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592000
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide
CID 81205568
2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
CID 114593654
3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592010
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 79467514
1-[2-nitro-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanone
CID 114593629
2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 107279406
2-fluoro-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarbothioamide
CID 114593328
2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide
CID 79466596
[4-(2,3,5-trimethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 114597977
5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592015
2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593511

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide (CID 114592056) is 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide is CC1CC(C)C(C)N(c2ccc(S(N)(=O)=O)c(N)c2)C1.
What is the InChIKey of 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is OCWSCLPDFIYSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-6-10(2)11(3)17(8-9)12-4-5-14(13(15)7-12)20(16,18)19/h4-5,7,9-11H,6,8,15H2,1-3H3,(H2,16,18,19).
What are the key properties of 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide?
2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 114592056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).