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

C15H22FNO2S — CID 79581109

IUPACN-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO2S/c1-2-17-14-8-5-6-12(14)10-11-20(18,19)15-9-4-3-7-13(15)16/h3-4,7,9,12,14,17H,2,5-6,8,10-11H2,1H3
InChIKeyRVHSUXDOZSGBFT-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.77
Rot. Bonds6

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

N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine (PubChem CID 79581109) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
PubChem CID79581109
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC NameN-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO2S/c1-2-17-14-8-5-6-12(14)10-11-20(18,19)15-9-4-3-7-13(15)16/h3-4,7,9,12,14,17H,2,5-6,8,10-11H2,1H3
InChIKeyRVHSUXDOZSGBFT-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine (CID 79581109) is N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine is CCNC1CCCC1CCS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine?
The InChIKey is RVHSUXDOZSGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-2-17-14-8-5-6-12(14)10-11-20(18,19)15-9-4-3-7-13(15)16/h3-4,7,9,12,14,17H,2,5-6,8,10-11H2,1H3.
What are the key properties of N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine is sourced from PubChem (CID 79581109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).