1,1,1-trifluoro-5-(sulfamoylamino)pentane

C5H11F3N2O2S — CID 112703664

IUPAC1,1,1-trifluoro-5-(sulfamoylamino)pentane
SMILESNS(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c6-5(7,8)3-1-2-4-10-13(9,11)12/h10H,1-4H2,(H2,9,11,12)
InChIKeyAJBHPIZOQMZFPA-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.51
Rot. Bonds5

About 1,1,1-trifluoro-5-(sulfamoylamino)pentane

1,1,1-trifluoro-5-(sulfamoylamino)pentane (PubChem CID 112703664) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(sulfamoylamino)pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(sulfamoylamino)pentane
PubChem CID112703664
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name1,1,1-trifluoro-5-(sulfamoylamino)pentane
SMILESNS(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c6-5(7,8)3-1-2-4-10-13(9,11)12/h10H,1-4H2,(H2,9,11,12)
InChIKeyAJBHPIZOQMZFPA-UHFFFAOYSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.51
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-(sulfamoylamino)pentane?
The IUPAC name of 1,1,1-trifluoro-5-(sulfamoylamino)pentane (CID 112703664) is 1,1,1-trifluoro-5-(sulfamoylamino)pentane.
What is the SMILES notation for 1,1,1-trifluoro-5-(sulfamoylamino)pentane?
The canonical SMILES for 1,1,1-trifluoro-5-(sulfamoylamino)pentane is NS(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-(sulfamoylamino)pentane?
The InChIKey is AJBHPIZOQMZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c6-5(7,8)3-1-2-4-10-13(9,11)12/h10H,1-4H2,(H2,9,11,12).
What are the key properties of 1,1,1-trifluoro-5-(sulfamoylamino)pentane?
1,1,1-trifluoro-5-(sulfamoylamino)pentane has a molecular weight of 220.22 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(sulfamoylamino)pentane is sourced from PubChem (CID 112703664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).