1-fluoro-4-(sulfamoylamino)butane

C4H11FN2O2S — CID 130592975

IUPAC1-fluoro-4-(sulfamoylamino)butane
SMILESNS(=O)(=O)NCCCCF
InChIInChI=1S/C4H11FN2O2S/c5-3-1-2-4-7-10(6,8)9/h7H,1-4H2,(H2,6,8,9)
InChIKeyPIMWRWDLJSQLLU-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.47
Rot. Bonds5

About 1-fluoro-4-(sulfamoylamino)butane

1-fluoro-4-(sulfamoylamino)butane (PubChem CID 130592975) has the molecular formula C4H11FN2O2S and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-fluoro-4-(sulfamoylamino)butane.

Molecular Properties

Compound Name1-fluoro-4-(sulfamoylamino)butane
PubChem CID130592975
Molecular FormulaC4H11FN2O2S
Molecular Weight170.21 g/mol
Exact Mass170.05
IUPAC Name1-fluoro-4-(sulfamoylamino)butane
SMILESNS(=O)(=O)NCCCCF
InChIInChI=1S/C4H11FN2O2S/c5-3-1-2-4-7-10(6,8)9/h7H,1-4H2,(H2,6,8,9)
InChIKeyPIMWRWDLJSQLLU-UHFFFAOYSA-N
XLogP-0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

N-butylsulfamide
CID 12355589
Butane-1,4-diaminium sulfate
CID 129880821
1-Fluorobutylsulfamic acid
CID 20542132
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-5-(sulfinatoamino)pentane
CID 91169379
1-Fluoro-4-(sulfinatoamino)butane
CID 91453950
1-Fluoro-2-(sulfamoylamino)ethane
CID 126973648
4-Fluorobutylsulfamic acid
CID 163287147
N-(methylsulfamoyl)propan-1-amine
CID 22273146
1-Fluoro-4-(sulfinoamino)butane
CID 91453951

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(sulfamoylamino)butane?
The IUPAC name of 1-fluoro-4-(sulfamoylamino)butane (CID 130592975) is 1-fluoro-4-(sulfamoylamino)butane.
What is the SMILES notation for 1-fluoro-4-(sulfamoylamino)butane?
The canonical SMILES for 1-fluoro-4-(sulfamoylamino)butane is NS(=O)(=O)NCCCCF.
What is the InChIKey of 1-fluoro-4-(sulfamoylamino)butane?
The InChIKey is PIMWRWDLJSQLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2O2S/c5-3-1-2-4-7-10(6,8)9/h7H,1-4H2,(H2,6,8,9).
What are the key properties of 1-fluoro-4-(sulfamoylamino)butane?
1-fluoro-4-(sulfamoylamino)butane has a molecular weight of 170.21 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(sulfamoylamino)butane is sourced from PubChem (CID 130592975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).