1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

C14H21FN2O5S2 — CID 135109600

IUPAC1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C14H21FN2O5S2/c1-17(2)24(20,21)10-12-7-22-8-14(12)16-23(18,19)9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,7-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyVKXOYQDFRJVCSG-JSGCOSHPSA-N
MW380.46 g/mol
LogP0.15
Rot. Bonds7

About 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 135109600) has the molecular formula C14H21FN2O5S2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID135109600
Molecular FormulaC14H21FN2O5S2
Molecular Weight380.46 g/mol
Exact Mass380.09
IUPAC Name1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C14H21FN2O5S2/c1-17(2)24(20,21)10-12-7-22-8-14(12)16-23(18,19)9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,7-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyVKXOYQDFRJVCSG-JSGCOSHPSA-N
XLogP0.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
CID 135091024
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 135115370
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide
CID 135088272
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 135104921
4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135091810
2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135107957
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide
CID 135091837
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
CID 135090049
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzamide
CID 135090773
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide (CID 135109600) is 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is VKXOYQDFRJVCSG-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21FN2O5S2/c1-17(2)24(20,21)10-12-7-22-8-14(12)16-23(18,19)9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,7-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 380.46 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 135109600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).