N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide

C11H20F3N3O3S — CID 79792105

IUPACN-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O3S/c1-3-21(19,20)16-8-4-6-17(7-5-8)9(18)10(2,15)11(12,13)14/h8,16H,3-7,15H2,1-2H3
InChIKeyTUTFTOGNTYHBOH-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.20
Rot. Bonds4

About N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide

N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 79792105) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide
PubChem CID79792105
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC NameN-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O3S/c1-3-21(19,20)16-8-4-6-17(7-5-8)9(18)10(2,15)11(12,13)14/h8,16H,3-7,15H2,1-2H3
InChIKeyTUTFTOGNTYHBOH-UHFFFAOYSA-N
XLogP0.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide (CID 79792105) is N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is TUTFTOGNTYHBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c1-3-21(19,20)16-8-4-6-17(7-5-8)9(18)10(2,15)11(12,13)14/h8,16H,3-7,15H2,1-2H3.
What are the key properties of N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 79792105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).