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

C12H16FNO2S — CID 113318073

IUPAC1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol
SMILESO=S(CC(O)CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C12H16FNO2S/c13-9-2-1-3-12(6-9)17(16)8-11(15)7-14-10-4-5-10/h1-3,6,10-11,14-15H,4-5,7-8H2
InChIKeyVNBGCDLQJSMDIV-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.05
Rot. Bonds6

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

1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol (PubChem CID 113318073) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol
PubChem CID113318073
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol
SMILESO=S(CC(O)CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C12H16FNO2S/c13-9-2-1-3-12(6-9)17(16)8-11(15)7-14-10-4-5-10/h1-3,6,10-11,14-15H,4-5,7-8H2
InChIKeyVNBGCDLQJSMDIV-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol (CID 113318073) is 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol is O=S(CC(O)CNC1CC1)c1cccc(F)c1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol?
The InChIKey is VNBGCDLQJSMDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c13-9-2-1-3-12(6-9)17(16)8-11(15)7-14-10-4-5-10/h1-3,6,10-11,14-15H,4-5,7-8H2.
What are the key properties of 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol?
1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 113318073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).