3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide

C11H19F3N2OS — CID 106428327

IUPAC3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H19F3N2OS/c1-10(2)4-3-5-15-8(10)9(17)16-6-7-18-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyBXWSGCQEQVVXLY-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.13
Rot. Bonds4

About 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide

3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide (PubChem CID 106428327) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide
PubChem CID106428327
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H19F3N2OS/c1-10(2)4-3-5-15-8(10)9(17)16-6-7-18-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyBXWSGCQEQVVXLY-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
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 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide (CID 106428327) is 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide is CC1(C)CCCNC1C(=O)NCCSC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide?
The InChIKey is BXWSGCQEQVVXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-10(2)4-3-5-15-8(10)9(17)16-6-7-18-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide?
3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide has a molecular weight of 284.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 106428327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).