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

C12H19BrN2O2S — CID 105036270

IUPAC1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
SMILESCNC(Cc1ccc(Br)cn1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H19BrN2O2S/c1-12(2,18(4,16)17)11(14-3)7-10-6-5-9(13)8-15-10/h5-6,8,11,14H,7H2,1-4H3
InChIKeyJAYZQMAWTQCWPO-UHFFFAOYSA-N
MW335.27 g/mol
LogP1.80
Rot. Bonds5

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

1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine (PubChem CID 105036270) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
PubChem CID105036270
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
SMILESCNC(Cc1ccc(Br)cn1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H19BrN2O2S/c1-12(2,18(4,16)17)11(14-3)7-10-6-5-9(13)8-15-10/h5-6,8,11,14H,7H2,1-4H3
InChIKeyJAYZQMAWTQCWPO-UHFFFAOYSA-N
XLogP1.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105334662
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105036373
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188
[1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245333
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
CID 104801951
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
N,3-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000003
5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine (CID 105036270) is 1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine is CNC(Cc1ccc(Br)cn1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine?
The InChIKey is JAYZQMAWTQCWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-12(2,18(4,16)17)11(14-3)7-10-6-5-9(13)8-15-10/h5-6,8,11,14H,7H2,1-4H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine?
1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine has a molecular weight of 335.27 g/mol, XLogP of 1.80, 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,3-dimethyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 105036270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).