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

C13H21N3O2S — CID 43373442

IUPAC3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-10-3-4-12(9-13(10)14)19(17,18)15-11-5-7-16(2)8-6-11/h3-4,9,11,15H,5-8,14H2,1-2H3
InChIKeyUCJVJASYGBADBN-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.95
Rot. Bonds3

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

3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 43373442) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID43373442
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-10-3-4-12(9-13(10)14)19(17,18)15-11-5-7-16(2)8-6-11/h3-4,9,11,15H,5-8,14H2,1-2H3
InChIKeyUCJVJASYGBADBN-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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

3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
3-amino-N-(1-methylpyrrolidin-3-yl)-4-nitrobenzenesulfonamide
CID 82845629
3-amino-4-fluoro-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 115421440
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 55204348
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
4-hydrazinyl-2,6-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 107327849
N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110736348
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 43373442) is 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is UCJVJASYGBADBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-3-4-12(9-13(10)14)19(17,18)15-11-5-7-16(2)8-6-11/h3-4,9,11,15H,5-8,14H2,1-2H3.
What are the key properties of 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 43373442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).