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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Related Compounds

trans-(1S,2R)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 60203904
[trans-2-Phenylcyclopropyl](4-piperidinylmethyl)amine
CID 66571530
[(1-Methyl-4-piperidinyl)methyl][trans-2-phenylcyclopropyl]amine
CID 66571590
N-[(1S)-1-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]-2,2,2-trifluoroethyl]methanesulfonamide
CID 71655815
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethylmethanesulfonamide
CID 53321487
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
Propane-2-sulfonic acid (trans-4-biphenyl-4-yl-1-ethyl-piperidin-3-yl)-amide
CID 52945565
US10233152, Example 41
CID 129279605
US10233152, Example 128
CID 129279609
N-[2-(2-fluorophenyl)cyclopropyl]piperidin-4-amine
CID 71522534

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).