3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol

C8H17F3N2O3S — CID 114809555

IUPAC3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c1-3-7(14,4-2)5-12-17(15,16)13-6-8(9,10)11/h12-14H,3-6H2,1-2H3
InChIKeyIUKFTHGYEXKPFO-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.52
Rot. Bonds7

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

3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol (PubChem CID 114809555) has the molecular formula C8H17F3N2O3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol
PubChem CID114809555
Molecular FormulaC8H17F3N2O3S
Molecular Weight278.30 g/mol
Exact Mass278.09
IUPAC Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c1-3-7(14,4-2)5-12-17(15,16)13-6-8(9,10)11/h12-14H,3-6H2,1-2H3
InChIKeyIUKFTHGYEXKPFO-UHFFFAOYSA-N
XLogP0.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol (CID 114809555) is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol is CCC(O)(CC)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol?
The InChIKey is IUKFTHGYEXKPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O3S/c1-3-7(14,4-2)5-12-17(15,16)13-6-8(9,10)11/h12-14H,3-6H2,1-2H3.
What are the key properties of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol?
3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pentan-3-ol has a molecular weight of 278.30 g/mol, XLogP of 0.52, 7 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]pentan-3-ol is sourced from PubChem (CID 114809555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).