N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine

C15H22FNS — CID 79576525

IUPACN-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCSc1ccc(F)cc1
InChIInChI=1S/C15H22FNS/c1-2-17-15-5-3-4-12(15)10-11-18-14-8-6-13(16)7-9-14/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyZLYXAZHBRFTXEE-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.09
Rot. Bonds6

About N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine

N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine (PubChem CID 79576525) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine
PubChem CID79576525
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCSc1ccc(F)cc1
InChIInChI=1S/C15H22FNS/c1-2-17-15-5-3-4-12(15)10-11-18-14-8-6-13(16)7-9-14/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyZLYXAZHBRFTXEE-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine (CID 79576525) is N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine is CCNC1CCCC1CCSc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine?
The InChIKey is ZLYXAZHBRFTXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-2-17-15-5-3-4-12(15)10-11-18-14-8-6-13(16)7-9-14/h6-9,12,15,17H,2-5,10-11H2,1H3.
What are the key properties of N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine is sourced from PubChem (CID 79576525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).