N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

C14H19F2NO2S — CID 65045905

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-20(18,19)14-4-2-3-13(14)17-6-5-10-7-11(15)9-12(16)8-10/h7-9,13-14,17H,2-6H2,1H3
InChIKeyQOWDQTTVOLNDFV-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65045905) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID65045905
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-20(18,19)14-4-2-3-13(14)17-6-5-10-7-11(15)9-12(16)8-10/h7-9,13-14,17H,2-6H2,1H3
InChIKeyQOWDQTTVOLNDFV-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 65045905) is N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is QOWDQTTVOLNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-20(18,19)14-4-2-3-13(14)17-6-5-10-7-11(15)9-12(16)8-10/h7-9,13-14,17H,2-6H2,1H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65045905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).