N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

C17H22FN3O4S2 — CID 135148547

IUPACN-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(c2ccc(N3[C@@H]4CC[C@H]3CSC4)c(F)c2)C(=O)O1
InChIInChI=1S/C17H22FN3O4S2/c1-27(23,24)19-7-14-8-20(17(22)25-14)11-4-5-16(15(18)6-11)21-12-2-3-13(21)10-26-9-12/h4-6,12-14,19H,2-3,7-10H2,1H3/t12-,13+,14-/m0/s1
InChIKeyLOCATDLHUQHRPU-MJBXVCDLSA-N
MW415.51 g/mol
LogP1.78
Rot. Bonds5

About N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 135148547) has the molecular formula C17H22FN3O4S2 and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
PubChem CID135148547
Molecular FormulaC17H22FN3O4S2
Molecular Weight415.51 g/mol
Exact Mass415.10
IUPAC NameN-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(c2ccc(N3[C@@H]4CC[C@H]3CSC4)c(F)c2)C(=O)O1
InChIInChI=1S/C17H22FN3O4S2/c1-27(23,24)19-7-14-8-20(17(22)25-14)11-4-5-16(15(18)6-11)21-12-2-3-13(21)10-26-9-12/h4-6,12-14,19H,2-3,7-10H2,1H3/t12-,13+,14-/m0/s1
InChIKeyLOCATDLHUQHRPU-MJBXVCDLSA-N
XLogP1.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-(3-thia-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126496057
(5S)-3-[3-fluoro-4-(3-thia-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 158114713
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 126496005
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559
methyl N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxo-3λ4-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 140880981
N-[[3-[3-fluoro-4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 20616698
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110328314
1-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylthiourea
CID 21187491

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 135148547) is N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CN(c2ccc(N3[C@@H]4CC[C@H]3CSC4)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The InChIKey is LOCATDLHUQHRPU-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H22FN3O4S2/c1-27(23,24)19-7-14-8-20(17(22)25-14)11-4-5-16(15(18)6-11)21-12-2-3-13(21)10-26-9-12/h4-6,12-14,19H,2-3,7-10H2,1H3/t12-,13+,14-/m0/s1.
What are the key properties of N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide has a molecular weight of 415.51 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-[3-fluoro-4-[(1S,5R)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 135148547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).