4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide

C13H25F3N2O2S — CID 75438706

IUPAC4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H25F3N2O2S/c1-12(2,3)11-5-8-18(9-6-11)21(19,20)17(4)10-7-13(14,15)16/h11H,5-10H2,1-4H3
InChIKeyNBFMOZMERNAAKV-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.87
Rot. Bonds4

About 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide

4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide (PubChem CID 75438706) has the molecular formula C13H25F3N2O2S and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
PubChem CID75438706
Molecular FormulaC13H25F3N2O2S
Molecular Weight330.42 g/mol
Exact Mass330.16
IUPAC Name4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H25F3N2O2S/c1-12(2,3)11-5-8-18(9-6-11)21(19,20)17(4)10-7-13(14,15)16/h11H,5-10H2,1-4H3
InChIKeyNBFMOZMERNAAKV-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide (CID 75438706) is 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide is CN(CCC(F)(F)F)S(=O)(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide?
The InChIKey is NBFMOZMERNAAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2S/c1-12(2,3)11-5-8-18(9-6-11)21(19,20)17(4)10-7-13(14,15)16/h11H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide?
4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide has a molecular weight of 330.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 75438706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).