2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine

C11H18N2O2S — CID 61481273

IUPAC2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine
SMILESCC(C)(C)CCS(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)6-8-16(14,15)10-9(12)5-4-7-13-10/h4-5,7H,6,8,12H2,1-3H3
InChIKeyPQXYYPOGFPYGLM-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.87
Rot. Bonds3

About 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine

2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine (PubChem CID 61481273) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine
PubChem CID61481273
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine
SMILESCC(C)(C)CCS(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)6-8-16(14,15)10-9(12)5-4-7-13-10/h4-5,7H,6,8,12H2,1-3H3
InChIKeyPQXYYPOGFPYGLM-UHFFFAOYSA-N
XLogP1.87
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine?
The IUPAC name of 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine (CID 61481273) is 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine?
The canonical SMILES for 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine is CC(C)(C)CCS(=O)(=O)c1ncccc1N.
What is the InChIKey of 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine?
The InChIKey is PQXYYPOGFPYGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)6-8-16(14,15)10-9(12)5-4-7-13-10/h4-5,7H,6,8,12H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine?
2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine has a molecular weight of 242.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 61481273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).