1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane

C7H15F3N2O3S — CID 86931236

IUPAC1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane
SMILESCN(C)S(=O)(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-12(2)16(13,14)11-4-3-5-15-6-7(8,9)10/h11H,3-6H2,1-2H3
InChIKeyFSBKRMXLKWKTQV-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.35
Rot. Bonds7

About 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane

1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane (PubChem CID 86931236) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane
PubChem CID86931236
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane
SMILESCN(C)S(=O)(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-12(2)16(13,14)11-4-3-5-15-6-7(8,9)10/h11H,3-6H2,1-2H3
InChIKeyFSBKRMXLKWKTQV-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
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-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane (CID 86931236) is 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane is CN(C)S(=O)(=O)NCCCOCC(F)(F)F.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane?
The InChIKey is FSBKRMXLKWKTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-12(2)16(13,14)11-4-3-5-15-6-7(8,9)10/h11H,3-6H2,1-2H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane?
1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane has a molecular weight of 264.27 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 86931236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).