N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide

C12H23F3N2O2S — CID 58864919

IUPACN-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
SMILESCC(C)(C)N1CCCC(CNS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O2S/c1-11(2,3)17-6-4-5-10(8-17)7-16-20(18,19)9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyBEVOQYSQNOOQRO-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.98
Rot. Bonds4

About N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide

N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 58864919) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID58864919
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
SMILESCC(C)(C)N1CCCC(CNS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O2S/c1-11(2,3)17-6-4-5-10(8-17)7-16-20(18,19)9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyBEVOQYSQNOOQRO-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide (CID 58864919) is N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide is CC(C)(C)N1CCCC(CNS(=O)(=O)CC(F)(F)F)C1.
What is the InChIKey of N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is BEVOQYSQNOOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-11(2,3)17-6-4-5-10(8-17)7-16-20(18,19)9-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 58864919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).