1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol

C12H15F2NOS — CID 43167566

IUPAC1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol
SMILESOC(CNC1CC1)CSc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NOS/c13-8-1-4-12(11(14)5-8)17-7-10(16)6-15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2
InChIKeyNUUUKPXRZPQZDI-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.17
Rot. Bonds6

About 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol

1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol (PubChem CID 43167566) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol
PubChem CID43167566
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol
SMILESOC(CNC1CC1)CSc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NOS/c13-8-1-4-12(11(14)5-8)17-7-10(16)6-15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2
InChIKeyNUUUKPXRZPQZDI-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol (CID 43167566) is 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol is OC(CNC1CC1)CSc1ccc(F)cc1F.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol?
The InChIKey is NUUUKPXRZPQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c13-8-1-4-12(11(14)5-8)17-7-10(16)6-15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2.
What are the key properties of 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol?
1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol has a molecular weight of 259.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 43167566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).