8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione

C7H13N3OS — CID 142061219

IUPAC8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione
SMILESNN1CCC2(CC1)CNC(=S)O2
InChIInChI=1S/C7H13N3OS/c8-10-3-1-7(2-4-10)5-9-6(12)11-7/h1-5,8H2,(H,9,12)
InChIKeyQILGDZYTSZRMAF-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.40
Rot. Bonds

About 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione

8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione (PubChem CID 142061219) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione.

Molecular Properties

Compound Name8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione
PubChem CID142061219
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione
SMILESNN1CCC2(CC1)CNC(=S)O2
InChIInChI=1S/C7H13N3OS/c8-10-3-1-7(2-4-10)5-9-6(12)11-7/h1-5,8H2,(H,9,12)
InChIKeyQILGDZYTSZRMAF-UHFFFAOYSA-N
XLogP-0.40
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione?
The IUPAC name of 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione (CID 142061219) is 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione.
What is the SMILES notation for 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione?
The canonical SMILES for 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione is NN1CCC2(CC1)CNC(=S)O2.
What is the InChIKey of 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione?
The InChIKey is QILGDZYTSZRMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c8-10-3-1-7(2-4-10)5-9-6(12)11-7/h1-5,8H2,(H,9,12).
What are the key properties of 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione?
8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione has a molecular weight of 187.27 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-oxa-3,8-diazaspiro[4.5]decane-2-thione is sourced from PubChem (CID 142061219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).