3-fluoro-1-(sulfamoylamino)butane

C4H11FN2O2S — CID 130632572

IUPAC3-fluoro-1-(sulfamoylamino)butane
SMILESCC(F)CCNS(N)(=O)=O
InChIInChI=1S/C4H11FN2O2S/c1-4(5)2-3-7-10(6,8)9/h4,7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyACTJRIXGAAXQBR-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.47
Rot. Bonds4

About 3-fluoro-1-(sulfamoylamino)butane

3-fluoro-1-(sulfamoylamino)butane (PubChem CID 130632572) has the molecular formula C4H11FN2O2S and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-fluoro-1-(sulfamoylamino)butane.

Molecular Properties

Compound Name3-fluoro-1-(sulfamoylamino)butane
PubChem CID130632572
Molecular FormulaC4H11FN2O2S
Molecular Weight170.21 g/mol
Exact Mass170.05
IUPAC Name3-fluoro-1-(sulfamoylamino)butane
SMILESCC(F)CCNS(N)(=O)=O
InChIInChI=1S/C4H11FN2O2S/c1-4(5)2-3-7-10(6,8)9/h4,7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyACTJRIXGAAXQBR-UHFFFAOYSA-N
XLogP-0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-(sulfamoylamino)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-Dibutylsulphamide
CID 69809
N-butylsulfamide
CID 12355589
N,N''''-Dipropylsulfamide
CID 15729847
n-Propylsulfamide
CID 13949558
N,N'-Diethylsulfamide
CID 219236
n-Butylsulfamoyl chloride
CID 13544378
1-Fluorobutylsulfamic acid
CID 20542132
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
N-butylsulfamoyl fluoride
CID 54427937
1-Fluoro-4-(sulfinatoamino)butane
CID 91453950

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(sulfamoylamino)butane?
The IUPAC name of 3-fluoro-1-(sulfamoylamino)butane (CID 130632572) is 3-fluoro-1-(sulfamoylamino)butane.
What is the SMILES notation for 3-fluoro-1-(sulfamoylamino)butane?
The canonical SMILES for 3-fluoro-1-(sulfamoylamino)butane is CC(F)CCNS(N)(=O)=O.
What is the InChIKey of 3-fluoro-1-(sulfamoylamino)butane?
The InChIKey is ACTJRIXGAAXQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2O2S/c1-4(5)2-3-7-10(6,8)9/h4,7H,2-3H2,1H3,(H2,6,8,9).
What are the key properties of 3-fluoro-1-(sulfamoylamino)butane?
3-fluoro-1-(sulfamoylamino)butane has a molecular weight of 170.21 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(sulfamoylamino)butane is sourced from PubChem (CID 130632572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).