(2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide

C15H21F3N4O3S — CID 155256025

IUPAC(2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)C[C@H]2COc1cccc(NCC(F)(F)F)n1
InChIInChI=1S/C15H21F3N4O3S/c16-15(17,18)10-20-12-2-1-3-13(21-12)25-9-11-8-14(11)4-6-22(7-5-14)26(19,23)24/h1-3,11H,4-10H2,(H,20,21)(H2,19,23,24)/t11-/m0/s1
InChIKeyWOQUEGQKMBRRIW-NSHDSACASA-N
MW394.42 g/mol
LogP1.74
Rot. Bonds6

About (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide

(2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155256025) has the molecular formula C15H21F3N4O3S and a molecular weight of 394.42 g/mol. Its IUPAC name is (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155256025
Molecular FormulaC15H21F3N4O3S
Molecular Weight394.42 g/mol
Exact Mass394.13
IUPAC Name(2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)C[C@H]2COc1cccc(NCC(F)(F)F)n1
InChIInChI=1S/C15H21F3N4O3S/c16-15(17,18)10-20-12-2-1-3-13(21-12)25-9-11-8-14(11)4-6-22(7-5-14)26(19,23)24/h1-3,11H,4-10H2,(H,20,21)(H2,19,23,24)/t11-/m0/s1
InChIKeyWOQUEGQKMBRRIW-NSHDSACASA-N
XLogP1.74
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide with MolForge

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Related Compounds

(3R)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10093032
1-(6-Isobutoxy-2-pyridyl)piperazine
CID 13795744
1-[6-(Cyclopropylmethoxy)pyridin-2-yl]piperazine
CID 13795745
1-[6-(Cyclohexylmethoxy)-2-pyridinyl]piperazine
CID 13795746
6-(2,2-difluoroethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-2-amine
CID 121569987
1-[6-[(2,6-Difluorophenyl)methoxy]-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 9980293
1-[6-Cyclopentyloxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10044992
1-[6-Propoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10089156
1-[6-(2-Phenoxyethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10094031
(2S)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10251058
1-[6-(2-Cyclopentylethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10341113
(3S)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10409346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 155256025) is (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)C[C@H]2COc1cccc(NCC(F)(F)F)n1.
What is the InChIKey of (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is WOQUEGQKMBRRIW-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F3N4O3S/c16-15(17,18)10-20-12-2-1-3-13(21-12)25-9-11-8-14(11)4-6-22(7-5-14)26(19,23)24/h1-3,11H,4-10H2,(H,20,21)(H2,19,23,24)/t11-/m0/s1.
What are the key properties of (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide?
(2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 394.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155256025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).