N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide

C18H27FN2O2S — CID 16887755

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27FN2O2S/c19-18-8-4-1-5-16(18)14-24(22,23)20-13-15-9-11-21(12-10-15)17-6-2-3-7-17/h1,4-5,8,15,17,20H,2-3,6-7,9-14H2
InChIKeyLCTDSUGZODIMJB-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.90
Rot. Bonds6

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 16887755) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID16887755
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27FN2O2S/c19-18-8-4-1-5-16(18)14-24(22,23)20-13-15-9-11-21(12-10-15)17-6-2-3-7-17/h1,4-5,8,15,17,20H,2-3,6-7,9-14H2
InChIKeyLCTDSUGZODIMJB-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide (CID 16887755) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is LCTDSUGZODIMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c19-18-8-4-1-5-16(18)14-24(22,23)20-13-15-9-11-21(12-10-15)17-6-2-3-7-17/h1,4-5,8,15,17,20H,2-3,6-7,9-14H2.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 354.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 16887755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).