1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane

C9H19F3N2O3S — CID 113328179

IUPAC1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane
SMILESCN(CCCO)S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-14(7-4-8-15)18(16,17)13-6-3-2-5-9(10,11)12/h13,15H,2-8H2,1H3
InChIKeyMLCIUSFLEAIGTN-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.87
Rot. Bonds9

About 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane

1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane (PubChem CID 113328179) has the molecular formula C9H19F3N2O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane
PubChem CID113328179
Molecular FormulaC9H19F3N2O3S
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane
SMILESCN(CCCO)S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-14(7-4-8-15)18(16,17)13-6-3-2-5-9(10,11)12/h13,15H,2-8H2,1H3
InChIKeyMLCIUSFLEAIGTN-UHFFFAOYSA-N
XLogP0.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane?
The IUPAC name of 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane (CID 113328179) is 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane.
What is the SMILES notation for 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane?
The canonical SMILES for 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane is CN(CCCO)S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane?
The InChIKey is MLCIUSFLEAIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O3S/c1-14(7-4-8-15)18(16,17)13-6-3-2-5-9(10,11)12/h13,15H,2-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane?
1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane has a molecular weight of 292.32 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]pentane is sourced from PubChem (CID 113328179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).