3-methoxypropyl(trifluoromethylsulfonyl)azanide

C5H9F3NO3S- — CID 101206161

IUPAC3-methoxypropyl(trifluoromethylsulfonyl)azanide
SMILESCOCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3NO3S/c1-12-4-2-3-9-13(10,11)5(6,7)8/h2-4H2,1H3/q-1
InChIKeyBQNIFVCHLJGKIM-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.25
Rot. Bonds5

About 3-methoxypropyl(trifluoromethylsulfonyl)azanide

3-methoxypropyl(trifluoromethylsulfonyl)azanide (PubChem CID 101206161) has the molecular formula C5H9F3NO3S- and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-methoxypropyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name3-methoxypropyl(trifluoromethylsulfonyl)azanide
PubChem CID101206161
Molecular FormulaC5H9F3NO3S-
Molecular Weight220.19 g/mol
Exact Mass220.03
IUPAC Name3-methoxypropyl(trifluoromethylsulfonyl)azanide
SMILESCOCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3NO3S/c1-12-4-2-3-9-13(10,11)5(6,7)8/h2-4H2,1H3/q-1
InChIKeyBQNIFVCHLJGKIM-UHFFFAOYSA-N
XLogP1.25
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 15859447
CID 15859447
CID 101206160
CID 101206160
CID 171736670
CID 171736670
CID 15859452
CID 15859452
CID 101206173
CID 101206173
CID 101206174
CID 101206174

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 3-methoxypropyl(trifluoromethylsulfonyl)azanide (CID 101206161) is 3-methoxypropyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 3-methoxypropyl(trifluoromethylsulfonyl)azanide is COCCC[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The InChIKey is BQNIFVCHLJGKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3NO3S/c1-12-4-2-3-9-13(10,11)5(6,7)8/h2-4H2,1H3/q-1.
What are the key properties of 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
3-methoxypropyl(trifluoromethylsulfonyl)azanide has a molecular weight of 220.19 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 101206161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).