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

C3H7F3N2O2S — CID 112695027

IUPAC1,1,1-trifluoro-3-(sulfamoylamino)propane
SMILESNS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C3H7F3N2O2S/c4-3(5,6)1-2-8-11(7,9)10/h8H,1-2H2,(H2,7,9,10)
InChIKeyBJXWWSMVNDBESG-UHFFFAOYSA-N
MW192.16 g/mol
LogP-0.27
Rot. Bonds3

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

1,1,1-trifluoro-3-(sulfamoylamino)propane (PubChem CID 112695027) has the molecular formula C3H7F3N2O2S and a molecular weight of 192.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(sulfamoylamino)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(sulfamoylamino)propane
PubChem CID112695027
Molecular FormulaC3H7F3N2O2S
Molecular Weight192.16 g/mol
Exact Mass192.02
IUPAC Name1,1,1-trifluoro-3-(sulfamoylamino)propane
SMILESNS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C3H7F3N2O2S/c4-3(5,6)1-2-8-11(7,9)10/h8H,1-2H2,(H2,7,9,10)
InChIKeyBJXWWSMVNDBESG-UHFFFAOYSA-N
XLogP-0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-(sulfinatoamino)propane
CID 17933131
Difluoroethylsulfamide
CID 112695841
3,3,3-Trifluoropropylsulfamic acid
CID 17804131
N-(1,2,2-trifluoroethyl)sulfamoyl chloride
CID 21867276
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
potassium;N-(3,3,3-trifluoropropyl)sulfamate
CID 23705469
sodium N-(3,3,3-trifluoropropyl)sulfamate
CID 23705471
N-(2,2-difluoroethyl)sulfamate
CID 86632791
2,2-Difluoroethylsulfamic acid
CID 86632792
1,1,1-Trifluoro-2-(sulfamoylamino)ethane
CID 87272721
trifluoromethyl N-ethylsulfamate
CID 91451951
2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine
CID 114807143

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(sulfamoylamino)propane?
The IUPAC name of 1,1,1-trifluoro-3-(sulfamoylamino)propane (CID 112695027) is 1,1,1-trifluoro-3-(sulfamoylamino)propane.
What is the SMILES notation for 1,1,1-trifluoro-3-(sulfamoylamino)propane?
The canonical SMILES for 1,1,1-trifluoro-3-(sulfamoylamino)propane is NS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(sulfamoylamino)propane?
The InChIKey is BJXWWSMVNDBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3N2O2S/c4-3(5,6)1-2-8-11(7,9)10/h8H,1-2H2,(H2,7,9,10).
What are the key properties of 1,1,1-trifluoro-3-(sulfamoylamino)propane?
1,1,1-trifluoro-3-(sulfamoylamino)propane has a molecular weight of 192.16 g/mol, XLogP of -0.27, 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)propane is sourced from PubChem (CID 112695027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).