N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide

C15H24N2O5S2 — CID 135091024

IUPACN,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O5S2/c1-12-5-4-6-13(7-12)10-23(18,19)16-15-9-22-8-14(15)11-24(20,21)17(2)3/h4-7,14-16H,8-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyGYTFDPYDYZJJNP-GJZGRUSLSA-N
MW376.50 g/mol
LogP0.32
Rot. Bonds7

About N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide

N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide (PubChem CID 135091024) has the molecular formula C15H24N2O5S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
PubChem CID135091024
Molecular FormulaC15H24N2O5S2
Molecular Weight376.50 g/mol
Exact Mass376.11
IUPAC NameN,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O5S2/c1-12-5-4-6-13(7-12)10-23(18,19)16-15-9-22-8-14(15)11-24(20,21)17(2)3/h4-7,14-16H,8-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyGYTFDPYDYZJJNP-GJZGRUSLSA-N
XLogP0.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
CID 135090049
1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135109600
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide
CID 135116358
3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135106288
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 135118851
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135110943
4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135091810
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 135115370
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
1-[(3R,4R)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134714704
4-[(3-methylphenyl)methyl]oxolan-3-amine
CID 83484011
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-hydroxy-2-methylbenzamide
CID 135103380

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide (CID 135091024) is N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide is Cc1cccc(CS(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide?
The InChIKey is GYTFDPYDYZJJNP-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H24N2O5S2/c1-12-5-4-6-13(7-12)10-23(18,19)16-15-9-22-8-14(15)11-24(20,21)17(2)3/h4-7,14-16H,8-11H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide?
N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 135091024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).