N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine

C9H19FN2O2S — CID 121358961

IUPACN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
SMILESCCNCC1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19FN2O2S/c1-3-11-8-9(10)4-6-12(7-5-9)15(2,13)14/h11H,3-8H2,1-2H3
InChIKeyWUJHWAVSZPCMLM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.36
Rot. Bonds4

About N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine

N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine (PubChem CID 121358961) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
PubChem CID121358961
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC NameN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
SMILESCCNCC1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19FN2O2S/c1-3-11-8-9(10)4-6-12(7-5-9)15(2,13)14/h11H,3-8H2,1-2H3
InChIKeyWUJHWAVSZPCMLM-UHFFFAOYSA-N
XLogP0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine (CID 121358961) is N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine is CCNCC1(F)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is WUJHWAVSZPCMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-3-11-8-9(10)4-6-12(7-5-9)15(2,13)14/h11H,3-8H2,1-2H3.
What are the key properties of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine?
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 121358961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).