1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane

C8H15F3N2O3S — CID 114809657

IUPAC1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane
SMILESCN(CC1CC(O)C1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-13(4-6-2-7(14)3-6)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3
InChIKeyGRABSKFWSJMZKP-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.09
Rot. Bonds5

About 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane

1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane (PubChem CID 114809657) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane.

Molecular Properties

Compound Name1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane
PubChem CID114809657
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane
SMILESCN(CC1CC(O)C1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-13(4-6-2-7(14)3-6)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3
InChIKeyGRABSKFWSJMZKP-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylmethanesulfonamide
CID 65994581
4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 106837145
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809650
3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809756
3-[[[3-Aminopropyl(methyl)sulfamoyl]-methylamino]methyl]cyclobutan-1-ol
CID 65982934
1-[[[Butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxycyclobutane
CID 66004612
1-[(Dipropylsulfamoylamino)methyl]-3-hydroxycyclobutane
CID 66006529
1-[(Diethylsulfamoylamino)methyl]-3-hydroxycyclobutane
CID 66006532
1-[(Dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane
CID 66007399
1-Hydroxy-3-[[methyl(sulfamoyl)amino]methyl]cyclobutane
CID 112573826
1-Hydroxy-3-[[methyl(methylsulfamoyl)amino]methyl]cyclobutane
CID 114809652
1-[[Ethylsulfamoyl(methyl)amino]methyl]-3-hydroxycyclobutane
CID 114809653

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane?
The IUPAC name of 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane (CID 114809657) is 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane.
What is the SMILES notation for 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane?
The canonical SMILES for 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane is CN(CC1CC(O)C1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane?
The InChIKey is GRABSKFWSJMZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-13(4-6-2-7(14)3-6)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3.
What are the key properties of 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane?
1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane has a molecular weight of 276.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane is sourced from PubChem (CID 114809657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).