1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide

C10H17FN6O3S — CID 171148760

IUPAC1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CC(F)CC1Cn1cc(C(N)=O)nn1
InChIInChI=1S/C10H17FN6O3S/c1-15(2)21(19,20)17-4-7(11)3-8(17)5-16-6-9(10(12)18)13-14-16/h6-8H,3-5H2,1-2H3,(H2,12,18)
InChIKeyUGUWEISAFATWNV-UHFFFAOYSA-N
MW320.35 g/mol
LogP-1.40
Rot. Bonds5

About 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide

1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 171148760) has the molecular formula C10H17FN6O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide
PubChem CID171148760
Molecular FormulaC10H17FN6O3S
Molecular Weight320.35 g/mol
Exact Mass320.11
IUPAC Name1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CC(F)CC1Cn1cc(C(N)=O)nn1
InChIInChI=1S/C10H17FN6O3S/c1-15(2)21(19,20)17-4-7(11)3-8(17)5-16-6-9(10(12)18)13-14-16/h6-8H,3-5H2,1-2H3,(H2,12,18)
InChIKeyUGUWEISAFATWNV-UHFFFAOYSA-N
XLogP-1.40
TPSA114.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide (CID 171148760) is 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide is CN(C)S(=O)(=O)N1CC(F)CC1Cn1cc(C(N)=O)nn1.
What is the InChIKey of 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is UGUWEISAFATWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN6O3S/c1-15(2)21(19,20)17-4-7(11)3-8(17)5-16-6-9(10(12)18)13-14-16/h6-8H,3-5H2,1-2H3,(H2,12,18).
What are the key properties of 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide?
1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of -1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylsulfamoyl)-4-fluoropyrrolidin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 171148760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).