1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol

C7H13F3N2O3S — CID 114809506

IUPAC1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol
SMILESO=S(=O)(NCC(O)C1CC1)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)4-12-16(14,15)11-3-6(13)5-1-2-5/h5-6,11-13H,1-4H2
InChIKeyVGYFCVYKOMMAQN-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.26
Rot. Bonds6

About 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol

1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol (PubChem CID 114809506) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol
PubChem CID114809506
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol
SMILESO=S(=O)(NCC(O)C1CC1)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)4-12-16(14,15)11-3-6(13)5-1-2-5/h5-6,11-13H,1-4H2
InChIKeyVGYFCVYKOMMAQN-UHFFFAOYSA-N
XLogP-0.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide
CID 63298386
N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide
CID 63299020
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 113924255
3-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 114168843
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809650
3-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol
CID 114809810
1-(2,2,2-Trifluoroethylsulfamoylamino)pentan-2-ol
CID 114809817
[1-Hydroxy-2-(sulfamoylamino)ethyl]cyclopropane
CID 112689501
1-Cyclopropyl-2-(methylsulfamoylamino)ethanol
CID 114809504
1-Cyclopropyl-2-(propylsulfamoylamino)ethanol
CID 114809505
1-Cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanol
CID 114815667
1-Cyclopropyl-2-(ethylsulfamoylamino)ethanol
CID 115756217

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol (CID 114809506) is 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol is O=S(=O)(NCC(O)C1CC1)NCC(F)(F)F.
What is the InChIKey of 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol?
The InChIKey is VGYFCVYKOMMAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)4-12-16(14,15)11-3-6(13)5-1-2-5/h5-6,11-13H,1-4H2.
What are the key properties of 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol?
1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol has a molecular weight of 262.25 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol is sourced from PubChem (CID 114809506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).