1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine

C11H17BrN2S — CID 64629220

IUPAC1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
SMILESCCNC(CC)CSc1ncccc1Br
InChIInChI=1S/C11H17BrN2S/c1-3-9(13-4-2)8-15-11-10(12)6-5-7-14-11/h5-7,9,13H,3-4,8H2,1-2H3
InChIKeyLHDBNRUTXLVINX-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.32
Rot. Bonds6

About 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine

1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine (PubChem CID 64629220) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
PubChem CID64629220
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
SMILESCCNC(CC)CSc1ncccc1Br
InChIInChI=1S/C11H17BrN2S/c1-3-9(13-4-2)8-15-11-10(12)6-5-7-14-11/h5-7,9,13H,3-4,8H2,1-2H3
InChIKeyLHDBNRUTXLVINX-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-2-pyridinyl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927358
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylhexan-3-amine
CID 106808448
1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
CID 64630670
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylhexan-3-amine
CID 106808446
1-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 64631646
3-bromo-2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylpyridine
CID 65016129
3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
CID 130835217
(2R)-2-acetamido-3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 107775229
1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 66055509
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64630836
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine?
The IUPAC name of 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine (CID 64629220) is 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine.
What is the SMILES notation for 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine?
The canonical SMILES for 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine is CCNC(CC)CSc1ncccc1Br.
What is the InChIKey of 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine?
The InChIKey is LHDBNRUTXLVINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-3-9(13-4-2)8-15-11-10(12)6-5-7-14-11/h5-7,9,13H,3-4,8H2,1-2H3.
What are the key properties of 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine?
1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine has a molecular weight of 289.24 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine is sourced from PubChem (CID 64629220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).