1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine

C10H14FNO2S — CID 107508854

IUPAC1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine
SMILESCOCC(N)CS(=O)c1cccc(F)c1
InChIInChI=1S/C10H14FNO2S/c1-14-6-9(12)7-15(13)10-4-2-3-8(11)5-10/h2-5,9H,6-7,12H2,1H3
InChIKeyJQWPDNPTKHXESI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.91
Rot. Bonds5

About 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine

1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine (PubChem CID 107508854) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine
PubChem CID107508854
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine
SMILESCOCC(N)CS(=O)c1cccc(F)c1
InChIInChI=1S/C10H14FNO2S/c1-14-6-9(12)7-15(13)10-4-2-3-8(11)5-10/h2-5,9H,6-7,12H2,1H3
InChIKeyJQWPDNPTKHXESI-UHFFFAOYSA-N
XLogP0.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 107508732
1-fluoro-3-[2-(2-methylpropoxy)ethylsulfinyl]benzene
CID 106458393
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
1-fluoro-3-[(R)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859236
bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504461
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
CID 114163152
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
[4-[3-(3-fluorophenyl)sulfinylpropoxy]phenyl]methanamine
CID 81333382
3-[(3-fluorophenyl)sulfinylmethyl]pentan-3-ol
CID 114497118
1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol
CID 113318073

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine (CID 107508854) is 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine is COCC(N)CS(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine?
The InChIKey is JQWPDNPTKHXESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-14-6-9(12)7-15(13)10-4-2-3-8(11)5-10/h2-5,9H,6-7,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine?
1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine has a molecular weight of 231.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107508854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).