2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine

C10H17F3N2O5S — CID 154755746

IUPAC2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine
SMILESO=S(=O)(NCC1COC2(CCOCC2)O1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O5S/c11-10(12,13)7-15-21(16,17)14-5-8-6-19-9(20-8)1-3-18-4-2-9/h8,14-15H,1-7H2
InChIKeyRWNVXDAARDTFKH-UHFFFAOYSA-N
MW334.32 g/mol
LogP-0.11
Rot. Bonds5

About 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine

2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine (PubChem CID 154755746) has the molecular formula C10H17F3N2O5S and a molecular weight of 334.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine
PubChem CID154755746
Molecular FormulaC10H17F3N2O5S
Molecular Weight334.32 g/mol
Exact Mass334.08
IUPAC Name2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine
SMILESO=S(=O)(NCC1COC2(CCOCC2)O1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O5S/c11-10(12,13)7-15-21(16,17)14-5-8-6-19-9(20-8)1-3-18-4-2-9/h8,14-15H,1-7H2
InChIKeyRWNVXDAARDTFKH-UHFFFAOYSA-N
XLogP-0.11
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine (CID 154755746) is 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine is O=S(=O)(NCC1COC2(CCOCC2)O1)NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine?
The InChIKey is RWNVXDAARDTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O5S/c11-10(12,13)7-15-21(16,17)14-5-8-6-19-9(20-8)1-3-18-4-2-9/h8,14-15H,1-7H2.
What are the key properties of 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine?
2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine has a molecular weight of 334.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine is sourced from PubChem (CID 154755746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).