2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol

C14H22N2O3S — CID 105116403

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H22N2O3S/c1-2-3-11-13(20-16-15-11)12(17)10-4-6-19-14(8-10)5-7-18-9-14/h10,12,17H,2-9H2,1H3
InChIKeySYPKHYXHKPYNML-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.11
Rot. Bonds4

About 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105116403) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
PubChem CID105116403
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H22N2O3S/c1-2-3-11-13(20-16-15-11)12(17)10-4-6-19-14(8-10)5-7-18-9-14/h10,12,17H,2-9H2,1H3
InChIKeySYPKHYXHKPYNML-UHFFFAOYSA-N
XLogP2.11
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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

Analyze 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
CID 105113872
(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112753
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone
CID 105119326
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105170316
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
CID 105097477
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol
CID 79912400
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105113831
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol (CID 105116403) is 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is SYPKHYXHKPYNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-3-11-13(20-16-15-11)12(17)10-4-6-19-14(8-10)5-7-18-9-14/h10,12,17H,2-9H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 298.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105116403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).