2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide

C8H15F2N3O3S — CID 60800341

IUPAC2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide
SMILESNC(=O)CN(C1CCCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2N3O3S/c9-8(10)17(15,16)13(5-7(11)14)6-2-1-3-12-4-6/h6,8,12H,1-5H2,(H2,11,14)
InChIKeyMPZMZTKPFAUPIU-UHFFFAOYSA-N
MW271.29 g/mol
LogP-0.92
Rot. Bonds5

About 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide

2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide (PubChem CID 60800341) has the molecular formula C8H15F2N3O3S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide
PubChem CID60800341
Molecular FormulaC8H15F2N3O3S
Molecular Weight271.29 g/mol
Exact Mass271.08
IUPAC Name2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide
SMILESNC(=O)CN(C1CCCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2N3O3S/c9-8(10)17(15,16)13(5-7(11)14)6-2-1-3-12-4-6/h6,8,12H,1-5H2,(H2,11,14)
InChIKeyMPZMZTKPFAUPIU-UHFFFAOYSA-N
XLogP-0.92
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide (CID 60800341) is 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide is NC(=O)CN(C1CCCNC1)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide?
The InChIKey is MPZMZTKPFAUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O3S/c9-8(10)17(15,16)13(5-7(11)14)6-2-1-3-12-4-6/h6,8,12H,1-5H2,(H2,11,14).
What are the key properties of 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide?
2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide has a molecular weight of 271.29 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 60800341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).