1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol

C7H15F3N2O3S — CID 114809821

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol
SMILESCCC(O)CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-2-6(13)3-4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3
InChIKeyFBQXJGVFXZKYRW-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.13
Rot. Bonds7

About 1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol

1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol (PubChem CID 114809821) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol
PubChem CID114809821
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol
SMILESCCC(O)CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-2-6(13)3-4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3
InChIKeyFBQXJGVFXZKYRW-UHFFFAOYSA-N
XLogP0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.13
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)pentan-3-ol?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol (CID 114809821) is 1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol is CCC(O)CCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol?
The InChIKey is FBQXJGVFXZKYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-2-6(13)3-4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol?
1-(2,2,2-trifluoroethylsulfamoylamino)pentan-3-ol has a molecular weight of 264.27 g/mol, XLogP of 0.13, 7 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)pentan-3-ol is sourced from PubChem (CID 114809821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).