3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine

C5H11F3N2O2S — CID 162616896

IUPAC3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine
SMILES[H]N=S(=O)(NCCCOC)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-12-4-2-3-10-13(9,11)5(6,7)8/h2-4H2,1H3,(H2,9,10,11)
InChIKeyVVPRGWJYGURIFA-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.09
Rot. Bonds5

About 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine

3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine (PubChem CID 162616896) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine
PubChem CID162616896
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine
SMILES[H]N=S(=O)(NCCCOC)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-12-4-2-3-10-13(9,11)5(6,7)8/h2-4H2,1H3,(H2,9,10,11)
InChIKeyVVPRGWJYGURIFA-UHFFFAOYSA-N
XLogP1.09
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-methoxypropane-1-sulfonyl fluoride
CID 46899852
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5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
1,1-difluoro-5-methoxypentane-1-sulfonic acid
CID 58100652
3-(3-methoxypropylamino)propyl hydrogen sulfate
CID 153323846
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine (CID 162616896) is 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine is [H]N=S(=O)(NCCCOC)C(F)(F)F.
What is the InChIKey of 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine?
The InChIKey is VVPRGWJYGURIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-12-4-2-3-10-13(9,11)5(6,7)8/h2-4H2,1H3,(H2,9,10,11).
What are the key properties of 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine?
3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine has a molecular weight of 220.22 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(trifluoromethylsulfonimidoyl)propan-1-amine is sourced from PubChem (CID 162616896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).