1,1,1-trifluoro-3-(sulfamoylamino)butane

C4H9F3N2O2S — CID 104854746

IUPAC1,1,1-trifluoro-3-(sulfamoylamino)butane
SMILESCC(CC(F)(F)F)NS(N)(=O)=O
InChIInChI=1S/C4H9F3N2O2S/c1-3(2-4(5,6)7)9-12(8,10)11/h3,9H,2H2,1H3,(H2,8,10,11)
InChIKeyIQDLMUHFAMBJRM-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.12
Rot. Bonds3

About 1,1,1-trifluoro-3-(sulfamoylamino)butane

1,1,1-trifluoro-3-(sulfamoylamino)butane (PubChem CID 104854746) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(sulfamoylamino)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(sulfamoylamino)butane
PubChem CID104854746
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC Name1,1,1-trifluoro-3-(sulfamoylamino)butane
SMILESCC(CC(F)(F)F)NS(N)(=O)=O
InChIInChI=1S/C4H9F3N2O2S/c1-3(2-4(5,6)7)9-12(8,10)11/h3,9H,2H2,1H3,(H2,8,10,11)
InChIKeyIQDLMUHFAMBJRM-UHFFFAOYSA-N
XLogP0.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine
CID 22621389
N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
CID 22621391
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
potassium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23705468
sodium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23707325
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
1,1,1-Trifluoro-2-(sulfinatoamino)propane
CID 91315691
trifluoromethyl N-propylsulfamate
CID 91366587

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(sulfamoylamino)butane?
The IUPAC name of 1,1,1-trifluoro-3-(sulfamoylamino)butane (CID 104854746) is 1,1,1-trifluoro-3-(sulfamoylamino)butane.
What is the SMILES notation for 1,1,1-trifluoro-3-(sulfamoylamino)butane?
The canonical SMILES for 1,1,1-trifluoro-3-(sulfamoylamino)butane is CC(CC(F)(F)F)NS(N)(=O)=O.
What is the InChIKey of 1,1,1-trifluoro-3-(sulfamoylamino)butane?
The InChIKey is IQDLMUHFAMBJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c1-3(2-4(5,6)7)9-12(8,10)11/h3,9H,2H2,1H3,(H2,8,10,11).
What are the key properties of 1,1,1-trifluoro-3-(sulfamoylamino)butane?
1,1,1-trifluoro-3-(sulfamoylamino)butane has a molecular weight of 206.19 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(sulfamoylamino)butane is sourced from PubChem (CID 104854746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).