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

C16H23FN2O2S — CID 56739718

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCCN(Cc2ccccc2F)C1)C1CC1
InChIInChI=1S/C16H23FN2O2S/c17-16-6-2-1-5-14(16)12-19-9-3-4-13(11-19)10-18-22(20,21)15-7-8-15/h1-2,5-6,13,15,18H,3-4,7-12H2
InChIKeyDCVKIWTWNNJREW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.12
Rot. Bonds6

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

N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 56739718) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID56739718
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCCN(Cc2ccccc2F)C1)C1CC1
InChIInChI=1S/C16H23FN2O2S/c17-16-6-2-1-5-14(16)12-19-9-3-4-13(11-19)10-18-22(20,21)15-7-8-15/h1-2,5-6,13,15,18H,3-4,7-12H2
InChIKeyDCVKIWTWNNJREW-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.12
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]cyclopropanesulfonamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide (CID 56739718) is N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCC1CCCN(Cc2ccccc2F)C1)C1CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is DCVKIWTWNNJREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c17-16-6-2-1-5-14(16)12-19-9-3-4-13(11-19)10-18-22(20,21)15-7-8-15/h1-2,5-6,13,15,18H,3-4,7-12H2.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.12, 6 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]cyclopropanesulfonamide is sourced from PubChem (CID 56739718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).