1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid

C15H18FNO2S — CID 79653844

IUPAC1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(Sc2ccccc2F)C1
InChIInChI=1S/C15H18FNO2S/c16-12-3-1-2-4-13(12)20-11-7-8-15(9-11,14(18)19)17-10-5-6-10/h1-4,10-11,17H,5-9H2,(H,18,19)
InChIKeyHJNHVSFCZOKGFU-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.05
Rot. Bonds5

About 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid (PubChem CID 79653844) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
PubChem CID79653844
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(Sc2ccccc2F)C1
InChIInChI=1S/C15H18FNO2S/c16-12-3-1-2-4-13(12)20-11-7-8-15(9-11,14(18)19)17-10-5-6-10/h1-4,10-11,17H,5-9H2,(H,18,19)
InChIKeyHJNHVSFCZOKGFU-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid (CID 79653844) is 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCC(Sc2ccccc2F)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The InChIKey is HJNHVSFCZOKGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c16-12-3-1-2-4-13(12)20-11-7-8-15(9-11,14(18)19)17-10-5-6-10/h1-4,10-11,17H,5-9H2,(H,18,19).
What are the key properties of 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79653844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).