2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine

C13H18FNOS — CID 79581435

IUPAC2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c14-11-5-1-2-7-13(11)17(16)9-8-10-4-3-6-12(10)15/h1-2,5,7,10,12H,3-4,6,8-9,15H2
InChIKeyCKYPPQIKKMEYQK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine

2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine (PubChem CID 79581435) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine
PubChem CID79581435
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c14-11-5-1-2-7-13(11)17(16)9-8-10-4-3-6-12(10)15/h1-2,5,7,10,12H,3-4,6,8-9,15H2
InChIKeyCKYPPQIKKMEYQK-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine (CID 79581435) is 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine is NC1CCCC1CCS(=O)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine?
The InChIKey is CKYPPQIKKMEYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-11-5-1-2-7-13(11)17(16)9-8-10-4-3-6-12(10)15/h1-2,5,7,10,12H,3-4,6,8-9,15H2.
What are the key properties of 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine?
2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine is sourced from PubChem (CID 79581435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).