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

C7H13F2N3O3S — CID 60805356

IUPAC2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
SMILESNC(=O)CN(C1CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12(4-6(10)13)5-1-2-11-3-5/h5,7,11H,1-4H2,(H2,10,13)
InChIKeyQAADWDGIBXRIRO-UHFFFAOYSA-N
MW257.26 g/mol
LogP-1.31
Rot. Bonds5

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

2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 60805356) has the molecular formula C7H13F2N3O3S and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID60805356
Molecular FormulaC7H13F2N3O3S
Molecular Weight257.26 g/mol
Exact Mass257.06
IUPAC Name2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
SMILESNC(=O)CN(C1CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12(4-6(10)13)5-1-2-11-3-5/h5,7,11H,1-4H2,(H2,10,13)
InChIKeyQAADWDGIBXRIRO-UHFFFAOYSA-N
XLogP-1.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide (CID 60805356) is 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide is NC(=O)CN(C1CCNC1)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is QAADWDGIBXRIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12(4-6(10)13)5-1-2-11-3-5/h5,7,11H,1-4H2,(H2,10,13).
What are the key properties of 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide?
2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 257.26 g/mol, XLogP of -1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethylsulfonyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 60805356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).