2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3N3O3S — CID 33415889

IUPAC2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)NC[C@H]1CCCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3S/c1-21(19,20)16-6-9-4-2-3-5-17(9)7-10(18)15-8-11(12,13)14/h9,16H,2-8H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyCQZOGGFOWZVKIJ-SECBINFHSA-N
MW331.36 g/mol
LogP0.07
Rot. Bonds6

About 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 33415889) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID33415889
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC Name2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)NC[C@H]1CCCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3S/c1-21(19,20)16-6-9-4-2-3-5-17(9)7-10(18)15-8-11(12,13)14/h9,16H,2-8H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyCQZOGGFOWZVKIJ-SECBINFHSA-N
XLogP0.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 33415889) is 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CQZOGGFOWZVKIJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c1-21(19,20)16-6-9-4-2-3-5-17(9)7-10(18)15-8-11(12,13)14/h9,16H,2-8H2,1H3,(H,15,18)/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 331.36 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 33415889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).