N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine

C14H20F2N2O2S — CID 43628813

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(NC1CCN(S(C)(=O)=O)CC1)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O2S/c1-10(13-9-11(15)3-4-14(13)16)17-12-5-7-18(8-6-12)21(2,19)20/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyGJBLTKYIKNIDCQ-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine

N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628813) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID43628813
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(NC1CCN(S(C)(=O)=O)CC1)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O2S/c1-10(13-9-11(15)3-4-14(13)16)17-12-5-7-18(8-6-12)21(2,19)20/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyGJBLTKYIKNIDCQ-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628723
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 115708819
N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 81296653
1-[4-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]-2,2,2-trifluoroethanone
CID 141123025
N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine
CID 99852900
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
N-[1-(2,5-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81298336
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine (CID 43628813) is N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine is CC(NC1CCN(S(C)(=O)=O)CC1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is GJBLTKYIKNIDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-10(13-9-11(15)3-4-14(13)16)17-12-5-7-18(8-6-12)21(2,19)20/h3-4,9-10,12,17H,5-8H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 318.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).