3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine

C9H13BrN2O2S — CID 79864976

IUPAC3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCN(CCS(C)(=O)=O)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-12(6-7-15(2,13)14)9-8(10)4-3-5-11-9/h3-5H,6-7H2,1-2H3
InChIKeyHKXAVMLAHHXASO-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.32
Rot. Bonds4

About 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine

3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine (PubChem CID 79864976) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
PubChem CID79864976
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCN(CCS(C)(=O)=O)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-12(6-7-15(2,13)14)9-8(10)4-3-5-11-9/h3-5H,6-7H2,1-2H3
InChIKeyHKXAVMLAHHXASO-UHFFFAOYSA-N
XLogP1.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 79849997
3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 61428057
N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 79858850
3-[(3-bromo-2-pyridinyl)-methylamino]propanethioamide
CID 61373156
3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 61373185
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61374673
1-(3-bromo-2-pyridinyl)-1-methylhydrazine
CID 53402715
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61373552
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
CID 79849578
1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114982995

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine (CID 79864976) is 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine is CN(CCS(C)(=O)=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The InChIKey is HKXAVMLAHHXASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-12(6-7-15(2,13)14)9-8(10)4-3-5-11-9/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine has a molecular weight of 293.19 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 79864976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).