5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol

C7H15F3N2O3S — CID 107319458

IUPAC5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
SMILESO=S(=O)(NCCCCCO)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c8-7(9,10)6-12-16(14,15)11-4-2-1-3-5-13/h11-13H,1-6H2
InChIKeyDXQASCIGOIJHQA-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.14
Rot. Bonds8

About 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol

5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol (PubChem CID 107319458) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
PubChem CID107319458
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
SMILESO=S(=O)(NCCCCCO)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c8-7(9,10)6-12-16(14,15)11-4-2-1-3-5-13/h11-13H,1-6H2
InChIKeyDXQASCIGOIJHQA-UHFFFAOYSA-N
XLogP0.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.14
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-(6-hydroxyhexyl)methanesulfonamide
CID 107847780
5-Amino-3,3-difluoropentan-1-ol
CID 117730738
5-(2,2,2-Trifluoroethylsulfamoylamino)pentan-2-ol
CID 106125965
2-Methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 106157205
4-(2,2,2-Trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
1,1-difluoro-N-(5-hydroxypentyl)methanesulfonamide
CID 107319392
1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide
CID 107319394
6-(2,2,2-Trifluoroethylsulfamoylamino)hexan-1-ol
CID 107847829
4-(2,2,2-Trifluoroethylsulfamoylamino)pentan-1-ol
CID 114809706
1-(2,2,2-Trifluoroethylsulfamoylamino)pentan-2-ol
CID 114809817
1-Hydroxy-5-(sulfinatoamino)pentane
CID 91602257
1-Hydroxy-5-(sulfamoylamino)pentane
CID 107302721

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The IUPAC name of 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol (CID 107319458) is 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol.
What is the SMILES notation for 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The canonical SMILES for 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol is O=S(=O)(NCCCCCO)NCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The InChIKey is DXQASCIGOIJHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c8-7(9,10)6-12-16(14,15)11-4-2-1-3-5-13/h11-13H,1-6H2.
What are the key properties of 5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol has a molecular weight of 264.27 g/mol, XLogP of 0.14, 8 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-1-ol is sourced from PubChem (CID 107319458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).