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

C15H25N3O2S — CID 114592010

IUPAC3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(C)CC(C)C2C)c(N)c1
InChIInChI=1S/C15H25N3O2S/c1-10-7-11(2)12(3)18(9-10)15-6-5-13(8-14(15)16)21(19,20)17-4/h5-6,8,10-12,17H,7,9,16H2,1-4H3
InChIKeyJFXXIZNLEPQXHG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.05
Rot. Bonds3

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

3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide (PubChem CID 114592010) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
PubChem CID114592010
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(C)CC(C)C2C)c(N)c1
InChIInChI=1S/C15H25N3O2S/c1-10-7-11(2)12(3)18(9-10)15-6-5-13(8-14(15)16)21(19,20)17-4/h5-6,8,10-12,17H,7,9,16H2,1-4H3
InChIKeyJFXXIZNLEPQXHG-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.05
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

5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592015
3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
CID 43449076
3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
3-iodo-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114591976
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103286576
2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592056
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide
CID 43581378
4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 82898767
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
4-amino-N-methyl-3-(2-methylpyrrolidin-1-yl)benzenesulfonamide
CID 82899494

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide (CID 114592010) is 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CC(C)CC(C)C2C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is JFXXIZNLEPQXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-7-11(2)12(3)18(9-10)15-6-5-13(8-14(15)16)21(19,20)17-4/h5-6,8,10-12,17H,7,9,16H2,1-4H3.
What are the key properties of 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide?
3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 114592010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).