1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol

C7H13NOS2 — CID 123541245

IUPAC1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol
SMILESOCC1CC2(CN1)SCCS2
InChIInChI=1S/C7H13NOS2/c9-4-6-3-7(5-8-6)10-1-2-11-7/h6,8-9H,1-5H2
InChIKeyLJPVMYGOYROKEG-UHFFFAOYSA-N
MW191.32 g/mol
LogP0.52
Rot. Bonds1

About 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol

1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol (PubChem CID 123541245) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol.

Molecular Properties

Compound Name1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol
PubChem CID123541245
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol
SMILESOCC1CC2(CN1)SCCS2
InChIInChI=1S/C7H13NOS2/c9-4-6-3-7(5-8-6)10-1-2-11-7/h6,8-9H,1-5H2
InChIKeyLJPVMYGOYROKEG-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol?
The IUPAC name of 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol (CID 123541245) is 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol.
What is the SMILES notation for 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol?
The canonical SMILES for 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol is OCC1CC2(CN1)SCCS2.
What is the InChIKey of 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol?
The InChIKey is LJPVMYGOYROKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c9-4-6-3-7(5-8-6)10-1-2-11-7/h6,8-9H,1-5H2.
What are the key properties of 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol?
1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol has a molecular weight of 191.32 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol is sourced from PubChem (CID 123541245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).