3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide

C15H25N3O2S — CID 114502923

IUPAC3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CCN(C)CC2C)c1
InChIInChI=1S/C15H25N3O2S/c1-10-7-13(16)12(3)15(8-10)21(19,20)17-14-5-6-18(4)9-11(14)2/h7-8,11,14,17H,5-6,9,16H2,1-4H3
InChIKeyCDCURPVRFKZFFW-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide

3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 114502923) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID114502923
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CCN(C)CC2C)c1
InChIInChI=1S/C15H25N3O2S/c1-10-7-13(16)12(3)15(8-10)21(19,20)17-14-5-6-18(4)9-11(14)2/h7-8,11,14,17H,5-6,9,16H2,1-4H3
InChIKeyCDCURPVRFKZFFW-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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-2-bromo-5-chloro-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114502876
2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 115698504
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
CID 114502993
4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114383117
3-amino-5-bromo-2-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 114379259
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 107873193
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide (CID 114502923) is 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC2CCN(C)CC2C)c1.
What is the InChIKey of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is CDCURPVRFKZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-7-13(16)12(3)15(8-10)21(19,20)17-14-5-6-18(4)9-11(14)2/h7-8,11,14,17H,5-6,9,16H2,1-4H3.
What are the key properties of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 114502923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).