N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide

C11H18F3N3O2S — CID 38441371

IUPACN-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NC(=O)CSC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2S/c1-15-9(18)6-17-4-2-8(3-5-17)16-10(19)7-20-11(12,13)14/h8H,2-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyGCYQMCXMPZQDOD-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.57
Rot. Bonds5

About N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide

N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide (PubChem CID 38441371) has the molecular formula C11H18F3N3O2S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
PubChem CID38441371
Molecular FormulaC11H18F3N3O2S
Molecular Weight313.35 g/mol
Exact Mass313.11
IUPAC NameN-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NC(=O)CSC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2S/c1-15-9(18)6-17-4-2-8(3-5-17)16-10(19)7-20-11(12,13)14/h8H,2-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyGCYQMCXMPZQDOD-UHFFFAOYSA-N
XLogP0.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide (CID 38441371) is N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(NC(=O)CSC(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide?
The InChIKey is GCYQMCXMPZQDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S/c1-15-9(18)6-17-4-2-8(3-5-17)16-10(19)7-20-11(12,13)14/h8H,2-7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide has a molecular weight of 313.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 38441371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).