3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine

C10H13ClFNOS — CID 102621904

IUPAC3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine
SMILESNCCCS(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNOS/c11-10-3-2-9(12)6-8(10)7-15(14)5-1-4-13/h2-3,6H,1,4-5,7,13H2
InChIKeyGLSARXVGDOUFAE-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.08
Rot. Bonds5

About 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine

3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine (PubChem CID 102621904) has the molecular formula C10H13ClFNOS and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine
PubChem CID102621904
Molecular FormulaC10H13ClFNOS
Molecular Weight249.74 g/mol
Exact Mass249.04
IUPAC Name3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine
SMILESNCCCS(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNOS/c11-10-3-2-9(12)6-8(10)7-15(14)5-1-4-13/h2-3,6H,1,4-5,7,13H2
InChIKeyGLSARXVGDOUFAE-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-2-fluorophenyl)methylsulfinyl]propan-1-amine
CID 102864618
4-[(2-chlorophenyl)methylsulfinyl]butan-1-amine
CID 103291326
4-[(2-chloro-5-fluorophenyl)methylsulfinyl]-3,5-difluoroaniline
CID 102619654
[4-fluoro-2-(pentylsulfinylmethyl)phenyl]methanamine
CID 107766810
(2R)-2-acetamido-3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propanoic acid
CID 107775444
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81333539
3-[(3-bromo-4-fluorophenyl)methylsulfinyl]propan-1-amine
CID 81186630
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
3-[(4-bromo-2-nitrophenyl)methylsulfinyl]propan-1-amine
CID 114382844
5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
CID 105396458
2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline
CID 64769008

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine (CID 102621904) is 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine is NCCCS(=O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine?
The InChIKey is GLSARXVGDOUFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNOS/c11-10-3-2-9(12)6-8(10)7-15(14)5-1-4-13/h2-3,6H,1,4-5,7,13H2.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine?
3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propan-1-amine is sourced from PubChem (CID 102621904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).