N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

C14H19F2NO2S — CID 65044459

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCC(NC1CCCC1S(C)(=O)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-9(10-6-7-11(15)12(16)8-10)17-13-4-3-5-14(13)20(2,18)19/h6-9,13-14,17H,3-5H2,1-2H3
InChIKeyBPZNQHJJZGSPLV-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65044459) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID65044459
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCC(NC1CCCC1S(C)(=O)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-9(10-6-7-11(15)12(16)8-10)17-13-4-3-5-14(13)20(2,18)19/h6-9,13-14,17H,3-5H2,1-2H3
InChIKeyBPZNQHJJZGSPLV-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892
N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81364185
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431
N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43223869
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044364
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 65044459) is N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is CC(NC1CCCC1S(C)(=O)=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is BPZNQHJJZGSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-9(10-6-7-11(15)12(16)8-10)17-13-4-3-5-14(13)20(2,18)19/h6-9,13-14,17H,3-5H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65044459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).