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

C7H13F3N2O3S — CID 114809858

IUPAC1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
SMILESO=S(=O)(NCC(F)(F)F)NCC1(O)CCC1
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)5-12-16(14,15)11-4-6(13)2-1-3-6/h11-13H,1-5H2
InChIKeyAYUYGAOCQWTKQT-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.11
Rot. Bonds5

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

1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol (PubChem CID 114809858) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
PubChem CID114809858
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
SMILESO=S(=O)(NCC(F)(F)F)NCC1(O)CCC1
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)5-12-16(14,15)11-4-6(13)2-1-3-6/h11-13H,1-5H2
InChIKeyAYUYGAOCQWTKQT-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol (CID 114809858) is 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol is O=S(=O)(NCC(F)(F)F)NCC1(O)CCC1.
What is the InChIKey of 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol?
The InChIKey is AYUYGAOCQWTKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)5-12-16(14,15)11-4-6(13)2-1-3-6/h11-13H,1-5H2.
What are the key properties of 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol?
1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol has a molecular weight of 262.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 114809858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).