1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine

C12H19FN2OS — CID 113356899

IUPAC1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
SMILESCCC(NCCCS(C)=O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2OS/c1-3-11(14-7-4-8-17(2)16)12-6-5-10(13)9-15-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyAYTGYBOOIVPECX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.03
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine (PubChem CID 113356899) has the molecular formula C12H19FN2OS and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
PubChem CID113356899
Molecular FormulaC12H19FN2OS
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
SMILESCCC(NCCCS(C)=O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2OS/c1-3-11(14-7-4-8-17(2)16)12-6-5-10(13)9-15-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyAYTGYBOOIVPECX-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395927
N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938465
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 113356923
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 112583054

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine (CID 113356899) is 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine is CCC(NCCCS(C)=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine?
The InChIKey is AYTGYBOOIVPECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2OS/c1-3-11(14-7-4-8-17(2)16)12-6-5-10(13)9-15-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine is sourced from PubChem (CID 113356899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).