2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide

C8H14F3N3O3S — CID 54923271

IUPAC2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide
SMILESNC(=O)CN(C1CCNCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3N3O3S/c9-8(10,11)18(16,17)14(5-7(12)15)6-1-3-13-4-2-6/h6,13H,1-5H2,(H2,12,15)
InChIKeyKVYSCHFFOKRCHU-UHFFFAOYSA-N
MW289.28 g/mol
LogP-0.62
Rot. Bonds4

About 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide

2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide (PubChem CID 54923271) has the molecular formula C8H14F3N3O3S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide.

Molecular Properties

Compound Name2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide
PubChem CID54923271
Molecular FormulaC8H14F3N3O3S
Molecular Weight289.28 g/mol
Exact Mass289.07
IUPAC Name2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide
SMILESNC(=O)CN(C1CCNCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3N3O3S/c9-8(10,11)18(16,17)14(5-7(12)15)6-1-3-13-4-2-6/h6,13H,1-5H2,(H2,12,15)
InChIKeyKVYSCHFFOKRCHU-UHFFFAOYSA-N
XLogP-0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide?
The IUPAC name of 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide (CID 54923271) is 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide.
What is the SMILES notation for 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide?
The canonical SMILES for 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide is NC(=O)CN(C1CCNCC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide?
The InChIKey is KVYSCHFFOKRCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3S/c9-8(10,11)18(16,17)14(5-7(12)15)6-1-3-13-4-2-6/h6,13H,1-5H2,(H2,12,15).
What are the key properties of 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide?
2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide has a molecular weight of 289.28 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide is sourced from PubChem (CID 54923271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).