1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol

C14H22N2O3S — CID 105113872

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
SMILESCCc1nnsc1C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H22N2O3S/c1-2-11-13(20-16-15-11)12(17)10-3-6-19-14(9-10)4-7-18-8-5-14/h10,12,17H,2-9H2,1H3
InChIKeyUATDPAYFSGSUDO-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.11
Rot. Bonds3

About 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol

1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol (PubChem CID 105113872) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
PubChem CID105113872
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
SMILESCCc1nnsc1C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H22N2O3S/c1-2-11-13(20-16-15-11)12(17)10-3-6-19-14(9-10)4-7-18-8-5-14/h10,12,17H,2-9H2,1H3
InChIKeyUATDPAYFSGSUDO-UHFFFAOYSA-N
XLogP2.11
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112753
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
CID 105097477
(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169794
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105113831
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone
CID 105119326
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol
CID 82732432
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116217
2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105116344
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
CID 115820832
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol (CID 105113872) is 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol is CCc1nnsc1C(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol?
The InChIKey is UATDPAYFSGSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-11-13(20-16-15-11)12(17)10-3-6-19-14(9-10)4-7-18-8-5-14/h10,12,17H,2-9H2,1H3.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol?
1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol has a molecular weight of 298.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105113872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).