1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol

C8H15NOS2 — CID 90897379

IUPAC1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol
SMILESOCN1CCC2(CC1)SCCS2
InChIInChI=1S/C8H15NOS2/c10-7-9-3-1-8(2-4-9)11-5-6-12-8/h10H,1-7H2
InChIKeyIYXODFFZICAWMY-UHFFFAOYSA-N
MW205.35 g/mol
LogP1.21
Rot. Bonds1

About 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol

1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol (PubChem CID 90897379) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol.

Molecular Properties

Compound Name1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol
PubChem CID90897379
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol
SMILESOCN1CCC2(CC1)SCCS2
InChIInChI=1S/C8H15NOS2/c10-7-9-3-1-8(2-4-9)11-5-6-12-8/h10H,1-7H2
InChIKeyIYXODFFZICAWMY-UHFFFAOYSA-N
XLogP1.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol?
The IUPAC name of 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol (CID 90897379) is 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol.
What is the SMILES notation for 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol?
The canonical SMILES for 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol is OCN1CCC2(CC1)SCCS2.
What is the InChIKey of 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol?
The InChIKey is IYXODFFZICAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c10-7-9-3-1-8(2-4-9)11-5-6-12-8/h10H,1-7H2.
What are the key properties of 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol?
1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol has a molecular weight of 205.35 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithia-8-azaspiro[4.5]decan-8-ylmethanol is sourced from PubChem (CID 90897379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).