N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide

C12H22F3N3O3S — CID 121020495

IUPACN,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O3S/c1-17(2)11(19)18-6-3-10(4-7-18)9-16-22(20,21)8-5-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyJFOAZOVTWUWJQI-UHFFFAOYSA-N
MW345.39 g/mol
LogP1.25
Rot. Bonds5

About N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide

N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide (PubChem CID 121020495) has the molecular formula C12H22F3N3O3S and a molecular weight of 345.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide
PubChem CID121020495
Molecular FormulaC12H22F3N3O3S
Molecular Weight345.39 g/mol
Exact Mass345.13
IUPAC NameN,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O3S/c1-17(2)11(19)18-6-3-10(4-7-18)9-16-22(20,21)8-5-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyJFOAZOVTWUWJQI-UHFFFAOYSA-N
XLogP1.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide (CID 121020495) is N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(CNS(=O)(=O)CCC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide?
The InChIKey is JFOAZOVTWUWJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O3S/c1-17(2)11(19)18-6-3-10(4-7-18)9-16-22(20,21)8-5-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3,3,3-trifluoropropylsulfonylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 121020495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).