1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol

C11H16FNO2S — CID 115476910

IUPAC1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
SMILESCCNCC(O)CS(=O)c1ccccc1F
InChIInChI=1S/C11H16FNO2S/c1-2-13-7-9(14)8-16(15)11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3
InChIKeyVUYOULNXHQMUFK-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.90
Rot. Bonds6

About 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol

1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol (PubChem CID 115476910) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
PubChem CID115476910
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
SMILESCCNCC(O)CS(=O)c1ccccc1F
InChIInChI=1S/C11H16FNO2S/c1-2-13-7-9(14)8-16(15)11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3
InChIKeyVUYOULNXHQMUFK-UHFFFAOYSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfinyl-3-propan-2-yloxypropan-2-ol
CID 64717959
1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 64717098
1-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64658337
1-benzylsulfinyl-3-(ethylamino)propan-2-ol
CID 115476936
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 113317924
1-fluoro-2-propylsulfinylbenzene
CID 64717305
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017
3,3,3-trifluoro-2-[(2-fluorophenyl)sulfinylmethyl]propanenitrile
CID 103372465
2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 63791234
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 115477531
1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol (CID 115476910) is 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol is CCNCC(O)CS(=O)c1ccccc1F.
What is the InChIKey of 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol?
The InChIKey is VUYOULNXHQMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-2-13-7-9(14)8-16(15)11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3.
What are the key properties of 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol?
1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol has a molecular weight of 245.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 115476910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).