3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide

C12H23F3N2O3S — CID 86931240

IUPAC3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCCCOCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O3S/c1-10-6-11(2)8-17(7-10)21(18,19)16-4-3-5-20-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKIFZYSIVBWYXBL-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.77
Rot. Bonds7

About 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide

3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide (PubChem CID 86931240) has the molecular formula C12H23F3N2O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide
PubChem CID86931240
Molecular FormulaC12H23F3N2O3S
Molecular Weight332.39 g/mol
Exact Mass332.14
IUPAC Name3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCCCOCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O3S/c1-10-6-11(2)8-17(7-10)21(18,19)16-4-3-5-20-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKIFZYSIVBWYXBL-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide (CID 86931240) is 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCCCOCC(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide?
The InChIKey is KIFZYSIVBWYXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O3S/c1-10-6-11(2)8-17(7-10)21(18,19)16-4-3-5-20-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide?
3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 86931240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).