1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C15H28F3N3O3S — CID 56521491

IUPAC1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C15H28F3N3O3S/c1-3-5-9-20(10-6-4-2)25(23,24)21-11-7-8-13(21)14(22)19-12-15(16,17)18/h13H,3-12H2,1-2H3,(H,19,22)
InChIKeyGJTMJLAMCIPODO-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.28
Rot. Bonds10

About 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 56521491) has the molecular formula C15H28F3N3O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID56521491
Molecular FormulaC15H28F3N3O3S
Molecular Weight387.47 g/mol
Exact Mass387.18
IUPAC Name1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C15H28F3N3O3S/c1-3-5-9-20(10-6-4-2)25(23,24)21-11-7-8-13(21)14(22)19-12-15(16,17)18/h13H,3-12H2,1-2H3,(H,19,22)
InChIKeyGJTMJLAMCIPODO-UHFFFAOYSA-N
XLogP2.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 56521491) is 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCCCN(CCCC)S(=O)(=O)N1CCCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is GJTMJLAMCIPODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3O3S/c1-3-5-9-20(10-6-4-2)25(23,24)21-11-7-8-13(21)14(22)19-12-15(16,17)18/h13H,3-12H2,1-2H3,(H,19,22).
What are the key properties of 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylsulfamoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56521491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).