2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide

C14H20N4O2S — CID 83003730

IUPAC2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CCCC(C)N1NS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C14H20N4O2S/c1-10-4-3-5-11(2)18(10)17-21(19,20)14-7-6-12(9-15)8-13(14)16/h6-8,10-11,17H,3-5,16H2,1-2H3
InChIKeyAYYMNEASYWTIFD-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.60
Rot. Bonds3

About 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide

2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide (PubChem CID 83003730) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
PubChem CID83003730
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CCCC(C)N1NS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C14H20N4O2S/c1-10-4-3-5-11(2)18(10)17-21(19,20)14-7-6-12(9-15)8-13(14)16/h6-8,10-11,17H,3-5,16H2,1-2H3
InChIKeyAYYMNEASYWTIFD-UHFFFAOYSA-N
XLogP1.60
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 83012991
2-amino-4-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 64900205
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106997230
3-amino-4-(3-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 102955115
2-amino-4-cyano-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596269
2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413667
2-amino-4-cyano-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 64900444
2-amino-4-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 64900647
5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 106075068
3-amino-4-[(2R)-2-methylpiperidin-1-yl]benzonitrile
CID 30031874
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 64900648

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide (CID 83003730) is 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide is CC1CCCC(C)N1NS(=O)(=O)c1ccc(C#N)cc1N.
What is the InChIKey of 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is AYYMNEASYWTIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-4-3-5-11(2)18(10)17-21(19,20)14-7-6-12(9-15)8-13(14)16/h6-8,10-11,17H,3-5,16H2,1-2H3.
What are the key properties of 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 83003730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).