N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

C12H19FN2O3S — CID 131686065

IUPACN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(C(=O)C3(F)CC3)C2)C1
InChIInChI=1S/C12H19FN2O3S/c1-19(17,18)14-9-6-11(7-9)4-5-15(8-11)10(16)12(13)2-3-12/h9,14H,2-8H2,1H3
InChIKeyUSKPDGJKPYXZFW-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.42
Rot. Bonds3

About N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (PubChem CID 131686065) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
PubChem CID131686065
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC NameN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(C(=O)C3(F)CC3)C2)C1
InChIInChI=1S/C12H19FN2O3S/c1-19(17,18)14-9-6-11(7-9)4-5-15(8-11)10(16)12(13)2-3-12/h9,14H,2-8H2,1H3
InChIKeyUSKPDGJKPYXZFW-UHFFFAOYSA-N
XLogP0.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (CID 131686065) is N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is CS(=O)(=O)NC1CC2(CCN(C(=O)C3(F)CC3)C2)C1.
What is the InChIKey of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The InChIKey is USKPDGJKPYXZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-19(17,18)14-9-6-11(7-9)4-5-15(8-11)10(16)12(13)2-3-12/h9,14H,2-8H2,1H3.
What are the key properties of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 131686065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).