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

C15H23FN2O2S — CID 56751783

IUPACN-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C15H23FN2O2S/c1-21(19,20)17-9-8-13-5-4-10-18(11-13)12-14-6-2-3-7-15(14)16/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyNTFAAIRIPBVHFU-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.98
Rot. Bonds6

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

N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide (PubChem CID 56751783) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
PubChem CID56751783
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C15H23FN2O2S/c1-21(19,20)17-9-8-13-5-4-10-18(11-13)12-14-6-2-3-7-15(14)16/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyNTFAAIRIPBVHFU-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide (CID 56751783) is N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The InChIKey is NTFAAIRIPBVHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-21(19,20)17-9-8-13-5-4-10-18(11-13)12-14-6-2-3-7-15(14)16/h2-3,6-7,13,17H,4-5,8-12H2,1H3.
What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56751783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).