1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide

C16H25FN2O3S — CID 16887673

IUPAC1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2O3S/c1-22-10-9-19-7-5-14(6-8-19)12-18-23(20,21)13-15-3-2-4-16(17)11-15/h2-4,11,14,18H,5-10,12-13H2,1H3
InChIKeyXRYJYPIYZVLOLJ-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.60
Rot. Bonds8

About 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide

1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 16887673) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID16887673
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2O3S/c1-22-10-9-19-7-5-14(6-8-19)12-18-23(20,21)13-15-3-2-4-16(17)11-15/h2-4,11,14,18H,5-10,12-13H2,1H3
InChIKeyXRYJYPIYZVLOLJ-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 121108298
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
CID 16887611

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide (CID 16887673) is 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide is COCCN1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is XRYJYPIYZVLOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-22-10-9-19-7-5-14(6-8-19)12-18-23(20,21)13-15-3-2-4-16(17)11-15/h2-4,11,14,18H,5-10,12-13H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 344.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 16887673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).