3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide

C8H14F3N2O3S- — CID 20807106

IUPAC3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]CCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N2O3S/c9-8(10,11)17(14,15)12-2-1-3-13-4-6-16-7-5-13/h1-7H2/q-1
InChIKeyPVMTXCBOHSASGO-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.93
Rot. Bonds5

About 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide

3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide (PubChem CID 20807106) has the molecular formula C8H14F3N2O3S- and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide
PubChem CID20807106
Molecular FormulaC8H14F3N2O3S-
Molecular Weight275.27 g/mol
Exact Mass275.07
IUPAC Name3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]CCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N2O3S/c9-8(10,11)17(14,15)12-2-1-3-13-4-6-16-7-5-13/h1-7H2/q-1
InChIKeyPVMTXCBOHSASGO-UHFFFAOYSA-N
XLogP0.93
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide (CID 20807106) is 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]CCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide?
The InChIKey is PVMTXCBOHSASGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N2O3S/c9-8(10,11)17(14,15)12-2-1-3-13-4-6-16-7-5-13/h1-7H2/q-1.
What are the key properties of 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide?
3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide has a molecular weight of 275.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 20807106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).