1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine

C13H20FNOS — CID 64657563

IUPAC1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
SMILESCCCNC(CC)CS(=O)c1ccccc1F
InChIInChI=1S/C13H20FNOS/c1-3-9-15-11(4-2)10-17(16)13-8-6-5-7-12(13)14/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyRUPKWXYQOFEHLD-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.71
Rot. Bonds7

About 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine

1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine (PubChem CID 64657563) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
PubChem CID64657563
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
SMILESCCCNC(CC)CS(=O)c1ccccc1F
InChIInChI=1S/C13H20FNOS/c1-3-9-15-11(4-2)10-17(16)13-8-6-5-7-12(13)14/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyRUPKWXYQOFEHLD-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine (CID 64657563) is 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine is CCCNC(CC)CS(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine?
The InChIKey is RUPKWXYQOFEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-3-9-15-11(4-2)10-17(16)13-8-6-5-7-12(13)14/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine?
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine has a molecular weight of 257.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine is sourced from PubChem (CID 64657563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).