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

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Related Compounds

2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine
CID 106728941
2-(4-methoxybutylsulfonyl)pyridin-3-amine
CID 104648972
2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine
CID 61366697
1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one
CID 82907799
2-(thiophen-3-ylmethylsulfonyl)pyridin-3-amine
CID 61369370
2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine
CID 107052242
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine
CID 163546017
3-amino-N-propan-2-ylpyridine-2-sulfonamide
CID 103303655
3-amino-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-sulfonamide
CID 106342302
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 61486701

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).