N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide

C14H26F3N3O3S — CID 136536479

IUPACN-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)C(C)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O3S/c1-5-24(22,23)19(4)12-6-8-20(9-7-12)13(21)11(2)18(3)10-14(15,16)17/h11-12H,5-10H2,1-4H3
InChIKeyOIZANIKUBZCYMF-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.14
Rot. Bonds6

About N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide

N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 136536479) has the molecular formula C14H26F3N3O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide
PubChem CID136536479
Molecular FormulaC14H26F3N3O3S
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC NameN-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)C(C)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O3S/c1-5-24(22,23)19(4)12-6-8-20(9-7-12)13(21)11(2)18(3)10-14(15,16)17/h11-12H,5-10H2,1-4H3
InChIKeyOIZANIKUBZCYMF-UHFFFAOYSA-N
XLogP1.14
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide (CID 136536479) is N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(C(=O)C(C)N(C)CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is OIZANIKUBZCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O3S/c1-5-24(22,23)19(4)12-6-8-20(9-7-12)13(21)11(2)18(3)10-14(15,16)17/h11-12H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide?
N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 136536479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).