3-(4-fluorophenyl)sulfinylpropan-1-amine

C9H12FNOS — CID 58684769

IUPAC3-(4-fluorophenyl)sulfinylpropan-1-amine
SMILESNCCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11/h2-5H,1,6-7,11H2
InChIKeyBMVOVYMYUMFXIS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.28
Rot. Bonds4

About 3-(4-fluorophenyl)sulfinylpropan-1-amine

3-(4-fluorophenyl)sulfinylpropan-1-amine (PubChem CID 58684769) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinylpropan-1-amine
PubChem CID58684769
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name3-(4-fluorophenyl)sulfinylpropan-1-amine
SMILESNCCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11/h2-5H,1,6-7,11H2
InChIKeyBMVOVYMYUMFXIS-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfinylpropan-1-amine
CID 58684884
5-(3,4-difluorophenyl)sulfinylpentan-1-amine
CID 81328253
5-(4-bromophenyl)sulfinylpentan-1-amine
CID 81328453
6-(4-fluorophenyl)sulfinylhexan-2-one
CID 64635188
1-fluoro-4-(4-phenylbutylsulfinyl)benzene
CID 114334866
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64657510
4-[2-(4-fluorophenyl)sulfinylethyl]aniline
CID 61304596
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
N-[3-(4-fluorophenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64657509
5-(2,5-difluorophenyl)sulfinylpentan-1-amine
CID 81328148
2-[2-(4-fluorophenyl)sulfinylethyl]aniline
CID 55079347
N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
CID 64659465

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinylpropan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfinylpropan-1-amine (CID 58684769) is 3-(4-fluorophenyl)sulfinylpropan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinylpropan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfinylpropan-1-amine is NCCCS(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinylpropan-1-amine?
The InChIKey is BMVOVYMYUMFXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11/h2-5H,1,6-7,11H2.
What are the key properties of 3-(4-fluorophenyl)sulfinylpropan-1-amine?
3-(4-fluorophenyl)sulfinylpropan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinylpropan-1-amine is sourced from PubChem (CID 58684769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).