N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine

C12H19FN2O2S — CID 105038168

IUPACN-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccncc1F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H19FN2O2S/c1-5-15-11(12(2,3)18(4,16)17)9-6-7-14-8-10(9)13/h6-8,11,15H,5H2,1-4H3
InChIKeyLJVYPCMPHFXCSK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.69
Rot. Bonds5

About N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine

N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 105038168) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID105038168
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccncc1F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H19FN2O2S/c1-5-15-11(12(2,3)18(4,16)17)9-6-7-14-8-10(9)13/h6-8,11,15H,5H2,1-4H3
InChIKeyLJVYPCMPHFXCSK-UHFFFAOYSA-N
XLogP1.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105335480
N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115827881
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 115799186
1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861858
N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 105038426
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 81045137
N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104738490
N,2-dimethyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709667
1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115853596
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 105038168) is N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine is CCNC(c1ccncc1F)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is LJVYPCMPHFXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-5-15-11(12(2,3)18(4,16)17)9-6-7-14-8-10(9)13/h6-8,11,15H,5H2,1-4H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine?
N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105038168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).