7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide

C11H19F2N3O3S — CID 175932948

IUPAC7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](CF)NC(=O)N1CC(NS(=O)(=O)CF)C2(CC2)C1
InChIInChI=1S/C11H19F2N3O3S/c1-8(4-12)14-10(17)16-5-9(11(6-16)2-3-11)15-20(18,19)7-13/h8-9,15H,2-7H2,1H3,(H,14,17)/t8-,9?/m1/s1
InChIKeyCJQMXWMCXBTORP-VEDVMXKPSA-N
MW311.35 g/mol
LogP0.36
Rot. Bonds5

About 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide

7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 175932948) has the molecular formula C11H19F2N3O3S and a molecular weight of 311.35 g/mol. Its IUPAC name is 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound Name7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID175932948
Molecular FormulaC11H19F2N3O3S
Molecular Weight311.35 g/mol
Exact Mass311.11
IUPAC Name7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](CF)NC(=O)N1CC(NS(=O)(=O)CF)C2(CC2)C1
InChIInChI=1S/C11H19F2N3O3S/c1-8(4-12)14-10(17)16-5-9(11(6-16)2-3-11)15-20(18,19)7-13/h8-9,15H,2-7H2,1H3,(H,14,17)/t8-,9?/m1/s1
InChIKeyCJQMXWMCXBTORP-VEDVMXKPSA-N
XLogP0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide (CID 175932948) is 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide is C[C@H](CF)NC(=O)N1CC(NS(=O)(=O)CF)C2(CC2)C1.
What is the InChIKey of 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is CJQMXWMCXBTORP-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H19F2N3O3S/c1-8(4-12)14-10(17)16-5-9(11(6-16)2-3-11)15-20(18,19)7-13/h8-9,15H,2-7H2,1H3,(H,14,17)/t8-,9?/m1/s1.
What are the key properties of 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide?
7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 175932948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).