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

C16H17F3N4O3S — CID 155682094

IUPAC(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)C[C@H]2c1noc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O3S/c17-16(18,19)11-4-2-1-3-10(11)14-21-13(22-26-14)12-9-15(12)5-7-23(8-6-15)27(20,24)25/h1-4,12H,5-9H2,(H2,20,24,25)/t12-/m0/s1
InChIKeyGMBPRAMRWWBLSP-LBPRGKRZSA-N
MW402.40 g/mol
LogP2.53
Rot. Bonds3

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

(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155682094) has the molecular formula C16H17F3N4O3S and a molecular weight of 402.40 g/mol. Its IUPAC name is (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155682094
Molecular FormulaC16H17F3N4O3S
Molecular Weight402.40 g/mol
Exact Mass402.10
IUPAC Name(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)C[C@H]2c1noc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O3S/c17-16(18,19)11-4-2-1-3-10(11)14-21-13(22-26-14)12-9-15(12)5-7-23(8-6-15)27(20,24)25/h1-4,12H,5-9H2,(H2,20,24,25)/t12-/m0/s1
InChIKeyGMBPRAMRWWBLSP-LBPRGKRZSA-N
XLogP2.53
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(2R)-2-[5-(3-cyclopropyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681989
(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681912
3-bromo-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571512
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057770
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114016525
(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
2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115079288
1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653408
(1R)-1-[5-[1-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682055
(1R)-1-[5-(3-cyclopropyl-1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681856
N-methyl-3-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079341
2-amino-6-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136938694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 155682094) is (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)C[C@H]2c1noc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is GMBPRAMRWWBLSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17F3N4O3S/c17-16(18,19)11-4-2-1-3-10(11)14-21-13(22-26-14)12-9-15(12)5-7-23(8-6-15)27(20,24)25/h1-4,12H,5-9H2,(H2,20,24,25)/t12-/m0/s1.
What are the key properties of (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 402.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155682094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).