2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine

C11H17FN2S — CID 65136425

IUPAC2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCC(C)SCC(N)c1cncc(F)c1
InChIInChI=1S/C11H17FN2S/c1-3-8(2)15-7-11(13)9-4-10(12)6-14-5-9/h4-6,8,11H,3,7,13H2,1-2H3
InChIKeyBSQTYAVFNIWFAG-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.75
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine

2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 65136425) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID65136425
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCC(C)SCC(N)c1cncc(F)c1
InChIInChI=1S/C11H17FN2S/c1-3-8(2)15-7-11(13)9-4-10(12)6-14-5-9/h4-6,8,11H,3,7,13H2,1-2H3
InChIKeyBSQTYAVFNIWFAG-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 66056882
3-(1-chloropropyl)-5-fluoropyridine
CID 130480294
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 65136460
2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105136122
2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105174686
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
CID 115725711
2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728983
2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
CID 65136205
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135758
methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
CID 94425120

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine (CID 65136425) is 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine is CCC(C)SCC(N)c1cncc(F)c1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is BSQTYAVFNIWFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-3-8(2)15-7-11(13)9-4-10(12)6-14-5-9/h4-6,8,11H,3,7,13H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine?
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 228.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 65136425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).