1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol

C12H16FNO3S — CID 113317920

IUPAC1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESO=S(=O)(CC(O)CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c13-9-1-5-12(6-2-9)18(16,17)8-11(15)7-14-10-3-4-10/h1-2,5-6,10-11,14-15H,3-4,7-8H2
InChIKeyZRMVJTNYAUXSNI-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.71
Rot. Bonds6

About 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol

1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol (PubChem CID 113317920) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol
PubChem CID113317920
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESO=S(=O)(CC(O)CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c13-9-1-5-12(6-2-9)18(16,17)8-11(15)7-14-10-3-4-10/h1-2,5-6,10-11,14-15H,3-4,7-8H2
InChIKeyZRMVJTNYAUXSNI-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol (CID 113317920) is 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol is O=S(=O)(CC(O)CNC1CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The InChIKey is ZRMVJTNYAUXSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-9-1-5-12(6-2-9)18(16,17)8-11(15)7-14-10-3-4-10/h1-2,5-6,10-11,14-15H,3-4,7-8H2.
What are the key properties of 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol?
1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol has a molecular weight of 273.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 113317920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).