N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C14H21FN2O2S — CID 51096143

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C14H21FN2O2S/c1-20(18,19)16-9-12-5-4-8-17(10-12)11-13-6-2-3-7-14(13)15/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyQCKMCGUHMIHXAS-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.59
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 51096143) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID51096143
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C14H21FN2O2S/c1-20(18,19)16-9-12-5-4-8-17(10-12)11-13-6-2-3-7-14(13)15/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyQCKMCGUHMIHXAS-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 51096143) is N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is QCKMCGUHMIHXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-20(18,19)16-9-12-5-4-8-17(10-12)11-13-6-2-3-7-14(13)15/h2-3,6-7,12,16H,4-5,8-11H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 51096143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).