1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine

C12H19FN2S — CID 115725711

IUPAC1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
SMILESCCSCC(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2S/c1-4-16-8-9(2)15-10(3)11-5-12(13)7-14-6-11/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeySBOGNQHWVLTPOU-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.01
Rot. Bonds6

About 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine

1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine (PubChem CID 115725711) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
PubChem CID115725711
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
SMILESCCSCC(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2S/c1-4-16-8-9(2)15-10(3)11-5-12(13)7-14-6-11/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeySBOGNQHWVLTPOU-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115668175
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 103779314
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 103777480
1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 113247045
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115776767
1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103779508
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
CID 115919226
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 103776057
(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103578530
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
CID 113382018
N-[1-(4-chlorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115725719
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135758

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine (CID 115725711) is 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine is CCSCC(C)NC(C)c1cncc(F)c1.
What is the InChIKey of 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine?
The InChIKey is SBOGNQHWVLTPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-4-16-8-9(2)15-10(3)11-5-12(13)7-14-6-11/h5-7,9-10,15H,4,8H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine?
1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine has a molecular weight of 242.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine is sourced from PubChem (CID 115725711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).