N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine

C12H19FN2S — CID 104738270

IUPACN-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CSCC)c1ccncc1F
InChIInChI=1S/C12H19FN2S/c1-3-6-15-12(9-16-4-2)10-5-7-14-8-11(10)13/h5,7-8,12,15H,3-4,6,9H2,1-2H3
InChIKeyZMOSLQKUISTIKX-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.01
Rot. Bonds7

About N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine

N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 104738270) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
PubChem CID104738270
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC NameN-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CSCC)c1ccncc1F
InChIInChI=1S/C12H19FN2S/c1-3-6-15-12(9-16-4-2)10-5-7-14-8-11(10)13/h5,7-8,12,15H,3-4,6,9H2,1-2H3
InChIKeyZMOSLQKUISTIKX-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-[2-(3-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738384
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine
CID 104738272
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
N-[1-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877708
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[1-(5-bromo-2-fluorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 79743201
N-[2-propylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708209
N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 102619227
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine (CID 104738270) is N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine is CCCNC(CSCC)c1ccncc1F.
What is the InChIKey of N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is ZMOSLQKUISTIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-3-6-15-12(9-16-4-2)10-5-7-14-8-11(10)13/h5,7-8,12,15H,3-4,6,9H2,1-2H3.
What are the key properties of N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 104738270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).