3-(3-fluorophenyl)sulfanylpropan-1-amine

C9H12FNS — CID 70244905

IUPAC3-(3-fluorophenyl)sulfanylpropan-1-amine
SMILESNCCCSc1cccc(F)c1
InChIInChI=1S/C9H12FNS/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7H,2,5-6,11H2
InChIKeyKNECEOKAQGLNPL-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.27
Rot. Bonds4

About 3-(3-fluorophenyl)sulfanylpropan-1-amine

3-(3-fluorophenyl)sulfanylpropan-1-amine (PubChem CID 70244905) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfanylpropan-1-amine
PubChem CID70244905
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name3-(3-fluorophenyl)sulfanylpropan-1-amine
SMILESNCCCSc1cccc(F)c1
InChIInChI=1S/C9H12FNS/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7H,2,5-6,11H2
InChIKeyKNECEOKAQGLNPL-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.27
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

4-[3-(3-fluorophenyl)sulfanylpropyl]aniline
CID 113384450
1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine
CID 84781889
3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
CID 66072941
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
3-[5-[(3-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]propan-1-amine
CID 66072327
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657909
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 66069584
5-phenylsulfanylpentan-1-amine
CID 15227684
1-fluoro-3-prop-2-enylsulfanylbenzene
CID 91656198
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfanylpropan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)sulfanylpropan-1-amine (CID 70244905) is 3-(3-fluorophenyl)sulfanylpropan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfanylpropan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)sulfanylpropan-1-amine is NCCCSc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)sulfanylpropan-1-amine?
The InChIKey is KNECEOKAQGLNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7H,2,5-6,11H2.
What are the key properties of 3-(3-fluorophenyl)sulfanylpropan-1-amine?
3-(3-fluorophenyl)sulfanylpropan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 70244905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).