3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide

C12H22F3N3O3S — CID 146143534

IUPAC3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1
InChIInChI=1S/C12H22F3N3O3S/c1-16(2)11(19)5-6-18-7-9(12(13,14)15)10(8-18)22(20,21)17(3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyKZUJRWQISYNOLC-UWVGGRQHSA-N
MW345.39 g/mol
LogP0.22
Rot. Bonds5

About 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide

3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 146143534) has the molecular formula C12H22F3N3O3S and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
PubChem CID146143534
Molecular FormulaC12H22F3N3O3S
Molecular Weight345.39 g/mol
Exact Mass345.13
IUPAC Name3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1
InChIInChI=1S/C12H22F3N3O3S/c1-16(2)11(19)5-6-18-7-9(12(13,14)15)10(8-18)22(20,21)17(3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyKZUJRWQISYNOLC-UWVGGRQHSA-N
XLogP0.22
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide (CID 146143534) is 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1.
What is the InChIKey of 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is KZUJRWQISYNOLC-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22F3N3O3S/c1-16(2)11(19)5-6-18-7-9(12(13,14)15)10(8-18)22(20,21)17(3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 345.39 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 146143534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).