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

C10H14FNOS — CID 81189316

IUPAC1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine
SMILESCC(N)CS(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H14FNOS/c1-8(12)6-14(13)7-9-3-2-4-10(11)5-9/h2-5,8H,6-7,12H2,1H3
InChIKeyQNIWADVWVGXYPR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.42
Rot. Bonds4

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

1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine (PubChem CID 81189316) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine
PubChem CID81189316
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine
SMILESCC(N)CS(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H14FNOS/c1-8(12)6-14(13)7-9-3-2-4-10(11)5-9/h2-5,8H,6-7,12H2,1H3
InChIKeyQNIWADVWVGXYPR-UHFFFAOYSA-N
XLogP1.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)methylsulfinyl]-2-methylpropanoic acid
CID 64916747
1-[(4-chloro-3-fluorophenyl)methylsulfinyl]propan-2-amine
CID 107889613
2-[(3-fluorophenyl)methylsulfinyl]propanoic acid
CID 60981912
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
1-[(3-fluorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 47022782
5-tert-butyl-2-[[(S)-(3-fluorophenyl)methylsulfinyl]methyl]-1,3-dimethylbenzene
CID 52504953
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
1-(4-chlorobutylsulfinylmethyl)-3-fluorobenzene
CID 10444728
3-[(3-fluorophenyl)methylsulfinyl]butanoic acid
CID 66114827
4-[[3-(trifluoromethyl)phenyl]methylsulfinyl]butan-2-amine
CID 81195470
1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 63791219
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95332184

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine?
The IUPAC name of 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine (CID 81189316) is 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine is CC(N)CS(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine?
The InChIKey is QNIWADVWVGXYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-8(12)6-14(13)7-9-3-2-4-10(11)5-9/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine?
1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine has a molecular weight of 215.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine is sourced from PubChem (CID 81189316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).