5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol

C7H15F3N2O3S — CID 106125965

IUPAC5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
SMILESCC(O)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-6(13)3-2-4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3
InChIKeySIKZOWBLBCBZMO-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.13
Rot. Bonds7

About 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol

5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol (PubChem CID 106125965) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
PubChem CID106125965
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
SMILESCC(O)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-6(13)3-2-4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3
InChIKeySIKZOWBLBCBZMO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N-(4-hydroxypentyl)methanesulfonamide
CID 106126031
4-(2,2,2-Trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
1,1-difluoro-N-(4-hydroxypentyl)methanesulfonamide
CID 107271064
5-(2,2,2-Trifluoroethylsulfamoylamino)pentan-1-ol
CID 107319458
4-(2,2,2-Trifluoroethylsulfamoylamino)butan-2-ol
CID 114809542
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809650
3-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809670
4-(2,2,2-Trifluoroethylsulfamoylamino)pentan-1-ol
CID 114809706
4-(2,2,2-Trifluoroethylsulfamoylamino)pentan-2-ol
CID 114809762
1-(2,2,2-Trifluoroethylsulfamoylamino)butan-2-ol
CID 114809806
1-(2,2,2-Trifluoroethylsulfamoylamino)pentan-2-ol
CID 114809817
1-(2,2,2-Trifluoroethylsulfamoylamino)pentan-3-ol
CID 114809821

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The IUPAC name of 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol (CID 106125965) is 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol.
What is the SMILES notation for 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The canonical SMILES for 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol is CC(O)CCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The InChIKey is SIKZOWBLBCBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-6(13)3-2-4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3.
What are the key properties of 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-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 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol is sourced from PubChem (CID 106125965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).