N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine

C11H16FNOS — CID 64659465

IUPACN-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
SMILESCCCNCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-2-7-13-8-9-15(14)11-5-3-10(12)4-6-11/h3-6,13H,2,7-9H2,1H3
InChIKeyHEBVMHMQKAJWHX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.93
Rot. Bonds6

About N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine

N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine (PubChem CID 64659465) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
PubChem CID64659465
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC NameN-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
SMILESCCCNCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-2-7-13-8-9-15(14)11-5-3-10(12)4-6-11/h3-6,13H,2,7-9H2,1H3
InChIKeyHEBVMHMQKAJWHX-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)sulfinylethyl]propan-1-amine
CID 64659114
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene
CID 106732610
N-[3-(4-fluorophenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64657509
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64657510
N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfinyl)ethyl]propan-1-amine
CID 115480272
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63792984
6-(4-fluorophenyl)sulfinylhexan-2-one
CID 64635188
1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine (CID 64659465) is N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine is CCCNCCS(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine?
The InChIKey is HEBVMHMQKAJWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-2-7-13-8-9-15(14)11-5-3-10(12)4-6-11/h3-6,13H,2,7-9H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine?
N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine is sourced from PubChem (CID 64659465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).