1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine

C11H17BrN2O2S — CID 105036373

IUPAC1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
SMILESCNC(Cc1ccc(Br)cn1)C(C)S(C)(=O)=O
InChIInChI=1S/C11H17BrN2O2S/c1-8(17(3,15)16)11(13-2)6-10-5-4-9(12)7-14-10/h4-5,7-8,11,13H,6H2,1-3H3
InChIKeyKTYSPPHXYCVYEV-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.41
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine

1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine (PubChem CID 105036373) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
PubChem CID105036373
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
SMILESCNC(Cc1ccc(Br)cn1)C(C)S(C)(=O)=O
InChIInChI=1S/C11H17BrN2O2S/c1-8(17(3,15)16)11(13-2)6-10-5-4-9(12)7-14-10/h4-5,7-8,11,13H,6H2,1-3H3
InChIKeyKTYSPPHXYCVYEV-UHFFFAOYSA-N
XLogP1.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 105036270
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105334662
N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105015213
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105036525
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine (CID 105036373) is 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine is CNC(Cc1ccc(Br)cn1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine?
The InChIKey is KTYSPPHXYCVYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-8(17(3,15)16)11(13-2)6-10-5-4-9(12)7-14-10/h4-5,7-8,11,13H,6H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine?
1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine has a molecular weight of 321.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 105036373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).