N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide

C15H20FN3O3S — CID 126797171

IUPACN-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(Cc2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C15H20FN3O3S/c1-23(20,21)17-9-11-4-6-19(7-5-11)10-15-18-13-3-2-12(16)8-14(13)22-15/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyJLBJYSVJXJXOCS-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.73
Rot. Bonds5

About N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide

N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 126797171) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide
PubChem CID126797171
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC NameN-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCN(Cc2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C15H20FN3O3S/c1-23(20,21)17-9-11-4-6-19(7-5-11)10-15-18-13-3-2-12(16)8-14(13)22-15/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyJLBJYSVJXJXOCS-UHFFFAOYSA-N
XLogP1.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide (CID 126797171) is N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCN(Cc2nc3ccc(F)cc3o2)CC1.
What is the InChIKey of N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is JLBJYSVJXJXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-23(20,21)17-9-11-4-6-19(7-5-11)10-15-18-13-3-2-12(16)8-14(13)22-15/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide?
N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126797171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).