(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

C16H25N3O3S — CID 124810926

IUPAC(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1nnc(N2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)s1
InChIInChI=1S/C16H25N3O3S/c1-12-17-18-15(23-12)19-10-16(11-19)8-14(4-7-22-16)21-9-13-2-5-20-6-3-13/h13-14H,2-11H2,1H3/t14-/m1/s1
InChIKeyVMIHDKFFJZQQPA-CQSZACIVSA-N
MW339.46 g/mol
LogP2.03
Rot. Bonds4

About (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124810926) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124810926
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1nnc(N2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)s1
InChIInChI=1S/C16H25N3O3S/c1-12-17-18-15(23-12)19-10-16(11-19)8-14(4-7-22-16)21-9-13-2-5-20-6-3-13/h13-14H,2-11H2,1H3/t14-/m1/s1
InChIKeyVMIHDKFFJZQQPA-CQSZACIVSA-N
XLogP2.03
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124806524
2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131653298
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131663586
8-[(5-methyl-3-pyridinyl)methoxy]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155851885
2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131649957
(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124812434
(8R)-8-(cyclopropylmethoxy)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124804313
(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893291
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124816647
2-cyclopropyl-1-[(8S)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124788334
(8R)-2-(furan-3-ylmethyl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805158
2-(4-methylphenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796344

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (CID 124810926) is (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is Cc1nnc(N2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)s1.
What is the InChIKey of (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is VMIHDKFFJZQQPA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-17-18-15(23-12)19-10-16(11-19)8-14(4-7-22-16)21-9-13-2-5-20-6-3-13/h13-14H,2-11H2,1H3/t14-/m1/s1.
What are the key properties of (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 339.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124810926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).