5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine

C12H19BrN2O2S — CID 75422660

IUPAC5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine
SMILESCC(C)(CCS(C)(=O)=O)CNc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2O2S/c1-12(2,4-5-18(3,16)17)9-15-11-6-10(13)7-14-8-11/h6-8,15H,4-5,9H2,1-3H3
InChIKeyWKWSAHSAFVNYEY-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.72
Rot. Bonds6

About 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine

5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine (PubChem CID 75422660) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine
PubChem CID75422660
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine
SMILESCC(C)(CCS(C)(=O)=O)CNc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2O2S/c1-12(2,4-5-18(3,16)17)9-15-11-6-10(13)7-14-8-11/h6-8,15H,4-5,9H2,1-3H3
InChIKeyWKWSAHSAFVNYEY-UHFFFAOYSA-N
XLogP2.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
4-[(5-amino-3-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106149745
5-bromo-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-3-amine
CID 133405812
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
N-[(5-bromo-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 104796774
5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
CID 133319936
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine
CID 104535385
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine (CID 75422660) is 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine is CC(C)(CCS(C)(=O)=O)CNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine?
The InChIKey is WKWSAHSAFVNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-12(2,4-5-18(3,16)17)9-15-11-6-10(13)7-14-8-11/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine?
5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine has a molecular weight of 335.27 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine is sourced from PubChem (CID 75422660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).