1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine

C11H23F3N4O3S — CID 120778502

IUPAC1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine
SMILESCOCCN(C)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H23F3N4O3S/c1-17(7-8-21-2)22(19,20)16-9-10(11(12,13)14)18-5-3-15-4-6-18/h10,15-16H,3-9H2,1-2H3
InChIKeyAXBMSLTVGAQXPE-UHFFFAOYSA-N
MW348.39 g/mol
LogP-0.76
Rot. Bonds8

About 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine

1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine (PubChem CID 120778502) has the molecular formula C11H23F3N4O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine
PubChem CID120778502
Molecular FormulaC11H23F3N4O3S
Molecular Weight348.39 g/mol
Exact Mass348.14
IUPAC Name1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine
SMILESCOCCN(C)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H23F3N4O3S/c1-17(7-8-21-2)22(19,20)16-9-10(11(12,13)14)18-5-3-15-4-6-18/h10,15-16H,3-9H2,1-2H3
InChIKeyAXBMSLTVGAQXPE-UHFFFAOYSA-N
XLogP-0.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine?
The IUPAC name of 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine (CID 120778502) is 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine.
What is the SMILES notation for 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine?
The canonical SMILES for 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine is COCCN(C)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine?
The InChIKey is AXBMSLTVGAQXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O3S/c1-17(7-8-21-2)22(19,20)16-9-10(11(12,13)14)18-5-3-15-4-6-18/h10,15-16H,3-9H2,1-2H3.
What are the key properties of 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine?
1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine has a molecular weight of 348.39 g/mol, XLogP of -0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine is sourced from PubChem (CID 120778502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).