4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane

C12H18N2O3S — CID 173295717

IUPAC4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane
SMILESOS1(O)CCOC12CCN(c1ccccn1)CC2
InChIInChI=1S/C12H18N2O3S/c15-18(16)10-9-17-12(18)4-7-14(8-5-12)11-3-1-2-6-13-11/h1-3,6,15-16H,4-5,7-10H2
InChIKeyXZSLVDQVHZPMJT-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.16
Rot. Bonds1

About 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane

4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane (PubChem CID 173295717) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane
PubChem CID173295717
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane
SMILESOS1(O)CCOC12CCN(c1ccccn1)CC2
InChIInChI=1S/C12H18N2O3S/c15-18(16)10-9-17-12(18)4-7-14(8-5-12)11-3-1-2-6-13-11/h1-3,6,15-16H,4-5,7-10H2
InChIKeyXZSLVDQVHZPMJT-UHFFFAOYSA-N
XLogP2.16
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112862654
1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 175717906
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
4-amino-1-pyridin-2-ylpiperidine-4-carbonitrile
CID 170991125
9-pyridin-2-yl-2,9-diazaspiro[5.5]undecane
CID 175764733
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
3-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 175660643

Frequently Asked Questions

What is the IUPAC name of 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane (CID 173295717) is 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane is OS1(O)CCOC12CCN(c1ccccn1)CC2.
What is the InChIKey of 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane?
The InChIKey is XZSLVDQVHZPMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-18(16)10-9-17-12(18)4-7-14(8-5-12)11-3-1-2-6-13-11/h1-3,6,15-16H,4-5,7-10H2.
What are the key properties of 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane?
4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane has a molecular weight of 270.35 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 173295717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).