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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Related Compounds

[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
CID 74890069
aziridin-2-ylmethanol
CID 11286436
[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 97357063
6-azaspiro[2.5]octan-7-ylmethanol;ethane
CID 144510443
2-tricyclo[1.1.1.01,3]pentanylmethanol
CID 10975409
ethyl (7S,9S)-9-propyl-1,4-dithia-8-azaspiro[4.5]decane-7-carboxylate
CID 11460456
[(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol
CID 100946780
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
(2S,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 102432047
(2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 53354586
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026

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).