N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine

C16H19FN2S — CID 83123962

IUPACN-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2ccccc2F)cn1
InChIInChI=1S/C16H19FN2S/c1-3-10-18-12(2)15-9-8-13(11-19-15)20-16-7-5-4-6-14(16)17/h4-9,11-12,18H,3,10H2,1-2H3
InChIKeyHKMCGGFLUKJUQY-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.43
Rot. Bonds6

About N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83123962) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83123962
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC NameN-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2ccccc2F)cn1
InChIInChI=1S/C16H19FN2S/c1-3-10-18-12(2)15-9-8-13(11-19-15)20-16-7-5-4-6-14(16)17/h4-9,11-12,18H,3,10H2,1-2H3
InChIKeyHKMCGGFLUKJUQY-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-bromophenyl)sulfanyl-2-pyridinyl]-N-ethylethanamine
CID 83124054
N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83111631
N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 83111053
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
CID 83124242
N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111227
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]propane-1,2-diol
CID 83123991
N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806640
1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112583940
N-methyl-2-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]acetamide
CID 114231769
N-[1-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63533344
N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83109972
N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 115940259

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine (CID 83123962) is N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Sc2ccccc2F)cn1.
What is the InChIKey of N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is HKMCGGFLUKJUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-3-10-18-12(2)15-9-8-13(11-19-15)20-16-7-5-4-6-14(16)17/h4-9,11-12,18H,3,10H2,1-2H3.
What are the key properties of N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83123962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).