(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide

C15H18F2N6O3S — CID 155681952

IUPAC(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)[C@H](c1nc(-c3ccnn3C3CC3)no1)C2(F)F
InChIInChI=1S/C15H18F2N6O3S/c16-15(17)11(14(15)4-7-22(8-5-14)27(18,24)25)13-20-12(21-26-13)10-3-6-19-23(10)9-1-2-9/h3,6,9,11H,1-2,4-5,7-8H2,(H2,18,24,25)/t11-/m0/s1
InChIKeyRGNAFNHYGJOZTD-NSHDSACASA-N
MW400.41 g/mol
LogP1.29
Rot. Bonds4

About (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide

(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155681952) has the molecular formula C15H18F2N6O3S and a molecular weight of 400.41 g/mol. Its IUPAC name is (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155681952
Molecular FormulaC15H18F2N6O3S
Molecular Weight400.41 g/mol
Exact Mass400.11
IUPAC Name(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)[C@H](c1nc(-c3ccnn3C3CC3)no1)C2(F)F
InChIInChI=1S/C15H18F2N6O3S/c16-15(17)11(14(15)4-7-22(8-5-14)27(18,24)25)13-20-12(21-26-13)10-3-6-19-23(10)9-1-2-9/h3,6,9,11H,1-2,4-5,7-8H2,(H2,18,24,25)/t11-/m0/s1
InChIKeyRGNAFNHYGJOZTD-NSHDSACASA-N
XLogP1.29
TPSA120.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682012
5-(2,2-difluoro-6-methylsulfonyl-6-azaspiro[2.5]octan-1-yl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 155681898
5-(2,2-difluoro-6-methylsulfonyl-6-azaspiro[2.5]octan-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 155681877
(1R)-1-[5-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682021
(1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
CID 156736160
(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682050
2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681960
(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681807
5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 155600976
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide (CID 155681952) is (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)[C@H](c1nc(-c3ccnn3C3CC3)no1)C2(F)F.
What is the InChIKey of (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is RGNAFNHYGJOZTD-NSHDSACASA-N. The full InChI is InChI=1S/C15H18F2N6O3S/c16-15(17)11(14(15)4-7-22(8-5-14)27(18,24)25)13-20-12(21-26-13)10-3-6-19-23(10)9-1-2-9/h3,6,9,11H,1-2,4-5,7-8H2,(H2,18,24,25)/t11-/m0/s1.
What are the key properties of (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide?
(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 400.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155681952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).