N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine

C16H23FN2O2S — CID 130453455

IUPACN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCS(=O)(=O)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C16H23FN2O2S/c1-22(20,21)19-9-7-16(17,8-10-19)12-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3
InChIKeyKFSDUFSWSHVNJG-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.90
Rot. Bonds5

About N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine

N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 130453455) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID130453455
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC NameN-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCS(=O)(=O)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C16H23FN2O2S/c1-22(20,21)19-9-7-16(17,8-10-19)12-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3
InChIKeyKFSDUFSWSHVNJG-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine (CID 130453455) is N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine is CS(=O)(=O)N1CCC(F)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is KFSDUFSWSHVNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-22(20,21)19-9-7-16(17,8-10-19)12-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3.
What are the key properties of N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 326.44 g/mol, XLogP of 1.90, 5 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]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 130453455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).