1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol

C12H16FNOS — CID 64812155

IUPAC1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESNCC(O)(CSc1ccccc1F)C1CC1
InChIInChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)16-8-12(15,7-14)9-5-6-9/h1-4,9,15H,5-8,14H2
InChIKeyMIDAWSNKSCLYNE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.02
Rot. Bonds5

About 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 64812155) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID64812155
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESNCC(O)(CSc1ccccc1F)C1CC1
InChIInChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)16-8-12(15,7-14)9-5-6-9/h1-4,9,15H,5-8,14H2
InChIKeyMIDAWSNKSCLYNE-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 64812155) is 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol is NCC(O)(CSc1ccccc1F)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is MIDAWSNKSCLYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)16-8-12(15,7-14)9-5-6-9/h1-4,9,15H,5-8,14H2.
What are the key properties of 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 64812155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).