3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol

C7H13F3N2O3S — CID 114809650

IUPAC3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
SMILESO=S(=O)(NCC1CC(O)C1)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)4-12-16(14,15)11-3-5-1-6(13)2-5/h5-6,11-13H,1-4H2
InChIKeyACVWQNMIGUTQDV-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.26
Rot. Bonds5

About 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol

3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol (PubChem CID 114809650) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
PubChem CID114809650
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
SMILESO=S(=O)(NCC1CC(O)C1)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)4-12-16(14,15)11-3-5-1-6(13)2-5/h5-6,11-13H,1-4H2
InChIKeyACVWQNMIGUTQDV-UHFFFAOYSA-N
XLogP-0.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66004826
1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66005885
5-(2,2,2-Trifluoroethylsulfamoylamino)pentan-2-ol
CID 106125965
1-Cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol
CID 114809506
1-Hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane
CID 114809657
3-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809670
1-Hydroxy-3-[(sulfamoylamino)methyl]cyclobutane
CID 112573825
3-[(Methylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809645
3-[(Ethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809646
3-[(Propylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809649
3-[(2-Methylpropylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114815720

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol (CID 114809650) is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol is O=S(=O)(NCC1CC(O)C1)NCC(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol?
The InChIKey is ACVWQNMIGUTQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)4-12-16(14,15)11-3-5-1-6(13)2-5/h5-6,11-13H,1-4H2.
What are the key properties of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol?
3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol has a molecular weight of 262.25 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 114809650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).