2-(4-fluorophenyl)sulfinylcyclopentan-1-amine

C11H14FNOS — CID 64657902

IUPAC2-(4-fluorophenyl)sulfinylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNOS/c12-8-4-6-9(7-5-8)15(14)11-3-1-2-10(11)13/h4-7,10-11H,1-3,13H2
InChIKeyWZURGUNVBGMMKE-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine

2-(4-fluorophenyl)sulfinylcyclopentan-1-amine (PubChem CID 64657902) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinylcyclopentan-1-amine
PubChem CID64657902
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name2-(4-fluorophenyl)sulfinylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNOS/c12-8-4-6-9(7-5-8)15(14)11-3-1-2-10(11)13/h4-7,10-11H,1-3,13H2
InChIKeyWZURGUNVBGMMKE-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine (CID 64657902) is 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine is NC1CCCC1S(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine?
The InChIKey is WZURGUNVBGMMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-8-4-6-9(7-5-8)15(14)11-3-1-2-10(11)13/h4-7,10-11H,1-3,13H2.
What are the key properties of 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine?
2-(4-fluorophenyl)sulfinylcyclopentan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinylcyclopentan-1-amine is sourced from PubChem (CID 64657902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).