2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine

C11H22F3N3O2S — CID 106609173

IUPAC2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
SMILESCCCCN(CC1CCCN1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H22F3N3O2S/c1-2-3-7-17(8-10-5-4-6-15-10)20(18,19)16-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyXXJGUMPFXBMVFY-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.24
Rot. Bonds8

About 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine

2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine (PubChem CID 106609173) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
PubChem CID106609173
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC Name2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
SMILESCCCCN(CC1CCCN1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H22F3N3O2S/c1-2-3-7-17(8-10-5-4-6-15-10)20(18,19)16-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyXXJGUMPFXBMVFY-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropylmethyl(propylsulfamoyl)amino]methyl]pyrrolidine
CID 106608854
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide
CID 106609362
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116
2-[2-(dipropylsulfamoylamino)ethyl]pyrrolidine
CID 114794083
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
2-[[cyclopropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106630652
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
2-[2-(diethylsulfamoylamino)ethyl]pyrrolidine
CID 114794250
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The IUPAC name of 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine (CID 106609173) is 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine.
What is the SMILES notation for 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The canonical SMILES for 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine is CCCCN(CC1CCCN1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The InChIKey is XXJGUMPFXBMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-2-3-7-17(8-10-5-4-6-15-10)20(18,19)16-9-11(12,13)14/h10,15-16H,2-9H2,1H3.
What are the key properties of 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine has a molecular weight of 317.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine is sourced from PubChem (CID 106609173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).