1,1,1-trifluoro-4-(sulfamoylamino)butane

C4H9F3N2O2S — CID 112695708

IUPAC1,1,1-trifluoro-4-(sulfamoylamino)butane
SMILESNS(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c5-4(6,7)2-1-3-9-12(8,10)11/h9H,1-3H2,(H2,8,10,11)
InChIKeyCZUIQOUYQFHKOS-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.12
Rot. Bonds4

About 1,1,1-trifluoro-4-(sulfamoylamino)butane

1,1,1-trifluoro-4-(sulfamoylamino)butane (PubChem CID 112695708) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(sulfamoylamino)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(sulfamoylamino)butane
PubChem CID112695708
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC Name1,1,1-trifluoro-4-(sulfamoylamino)butane
SMILESNS(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c5-4(6,7)2-1-3-9-12(8,10)11/h9H,1-3H2,(H2,8,10,11)
InChIKeyCZUIQOUYQFHKOS-UHFFFAOYSA-N
XLogP0.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

Difluoroethylsulfamide
CID 112695841
(2-Aminoethyl)[(2,2,2-trifluoroethyl)sulfamoyl]amine hydrochloride
CID 75478986
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
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
azane;N-butyl-1,1,1-trifluoromethanesulfonamide
CID 88214043
trifluoromethyl N-propylsulfamate
CID 91366587
1-Fluoro-4-(sulfinatoamino)butane
CID 91453950
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
1,1,2-Trifluoro-2-(sulfamoylamino)ethane
CID 174493044
4,4-Difluorobutylsulfamic acid
CID 175159593

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(sulfamoylamino)butane?
The IUPAC name of 1,1,1-trifluoro-4-(sulfamoylamino)butane (CID 112695708) is 1,1,1-trifluoro-4-(sulfamoylamino)butane.
What is the SMILES notation for 1,1,1-trifluoro-4-(sulfamoylamino)butane?
The canonical SMILES for 1,1,1-trifluoro-4-(sulfamoylamino)butane is NS(=O)(=O)NCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(sulfamoylamino)butane?
The InChIKey is CZUIQOUYQFHKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c5-4(6,7)2-1-3-9-12(8,10)11/h9H,1-3H2,(H2,8,10,11).
What are the key properties of 1,1,1-trifluoro-4-(sulfamoylamino)butane?
1,1,1-trifluoro-4-(sulfamoylamino)butane has a molecular weight of 206.19 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(sulfamoylamino)butane is sourced from PubChem (CID 112695708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).