(6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C16H22N4O2S — CID 97372941

IUPAC(6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cc(CN2CCC[C@@]3(COCCN(c4nncs4)C3)C2)co1
InChIInChI=1S/C16H22N4O2S/c1-3-16(10-19(4-1)8-14-2-6-21-9-14)11-20(5-7-22-12-16)15-18-17-13-23-15/h2,6,9,13H,1,3-5,7-8,10-12H2/t16-/m1/s1
InChIKeyWYQSEYIYOFNQCG-MRXNPFEDSA-N
MW334.44 g/mol
LogP2.25
Rot. Bonds3

About (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97372941) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97372941
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name(6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cc(CN2CCC[C@@]3(COCCN(c4nncs4)C3)C2)co1
InChIInChI=1S/C16H22N4O2S/c1-3-16(10-19(4-1)8-14-2-6-21-9-14)11-20(5-7-22-12-16)15-18-17-13-23-15/h2,6,9,13H,1,3-5,7-8,10-12H2/t16-/m1/s1
InChIKeyWYQSEYIYOFNQCG-MRXNPFEDSA-N
XLogP2.25
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide
CID 97398378
4-(pyridin-4-ylmethyl)-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131654381
2-(pyridin-2-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134070430
(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384827
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 72838357
(5R)-9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97186800
2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
CID 97484270
(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651615

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97372941) is (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cc(CN2CCC[C@@]3(COCCN(c4nncs4)C3)C2)co1.
What is the InChIKey of (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is WYQSEYIYOFNQCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-16(10-19(4-1)8-14-2-6-21-9-14)11-20(5-7-22-12-16)15-18-17-13-23-15/h2,6,9,13H,1,3-5,7-8,10-12H2/t16-/m1/s1.
What are the key properties of (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 334.44 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(furan-3-ylmethyl)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97372941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).