4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide

C13H21N3O2S — CID 82898767

IUPAC4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N2CCCC(C)C2)c1
InChIInChI=1S/C13H21N3O2S/c1-10-4-3-7-16(9-10)13-8-11(5-6-12(13)14)19(17,18)15-2/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3
InChIKeyNFZNVZOSFZHCMA-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.41
Rot. Bonds3

About 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide

4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide (PubChem CID 82898767) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
PubChem CID82898767
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N2CCCC(C)C2)c1
InChIInChI=1S/C13H21N3O2S/c1-10-4-3-7-16(9-10)13-8-11(5-6-12(13)14)19(17,18)15-2/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3
InChIKeyNFZNVZOSFZHCMA-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.41
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

4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 102955794
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
4-amino-N-methyl-3-(2-methylpyrrolidin-1-yl)benzenesulfonamide
CID 82899494
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 112624080
4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 82899314
3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
CID 43449076
3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554
N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370719
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzenesulfonamide
CID 82902449
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-(methylsulfamoyl)benzamide
CID 100622287

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide (CID 82898767) is 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(N2CCCC(C)C2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is NFZNVZOSFZHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-4-3-7-16(9-10)13-8-11(5-6-12(13)14)19(17,18)15-2/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide?
4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 82898767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).