4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile

C14H19N3O2S — CID 103829091

IUPAC4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1S(=O)(=O)N1CCC(N)CC1C
InChIInChI=1S/C14H19N3O2S/c1-10-7-12(9-15)3-4-14(10)20(18,19)17-6-5-13(16)8-11(17)2/h3-4,7,11,13H,5-6,8,16H2,1-2H3
InChIKeyFAZFPQGOZSKRCP-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.37
Rot. Bonds2

About 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile

4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile (PubChem CID 103829091) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
PubChem CID103829091
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1S(=O)(=O)N1CCC(N)CC1C
InChIInChI=1S/C14H19N3O2S/c1-10-7-12(9-15)3-4-14(10)20(18,19)17-6-5-13(16)8-11(17)2/h3-4,7,11,13H,5-6,8,16H2,1-2H3
InChIKeyFAZFPQGOZSKRCP-UHFFFAOYSA-N
XLogP1.37
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312471
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103828847
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 119962403
3-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzonitrile;hydrochloride
CID 119969685
(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 125420055
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106997230
1-(5-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312528
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312553
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
CID 115312556
4-(2,6-dimethylpiperazin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106998938
4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106998996
4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103833725

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile?
The IUPAC name of 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile (CID 103829091) is 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile.
What is the SMILES notation for 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile?
The canonical SMILES for 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile is Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(N)CC1C.
What is the InChIKey of 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile?
The InChIKey is FAZFPQGOZSKRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-7-12(9-15)3-4-14(10)20(18,19)17-6-5-13(16)8-11(17)2/h3-4,7,11,13H,5-6,8,16H2,1-2H3.
What are the key properties of 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile?
4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile has a molecular weight of 293.39 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile is sourced from PubChem (CID 103829091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).