2-thia-3,7-diazaspiro[4.4]nonane

C6H12N2S — CID 23135390

IUPAC2-thia-3,7-diazaspiro[4.4]nonane
SMILESC1CC2(CN1)CNSC2
InChIInChI=1S/C6H12N2S/c1-2-7-3-6(1)4-8-9-5-6/h7-8H,1-5H2
InChIKeyNOUYKJIQZTWEBG-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.22
Rot. Bonds

About 2-thia-3,7-diazaspiro[4.4]nonane

2-thia-3,7-diazaspiro[4.4]nonane (PubChem CID 23135390) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-thia-3,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-thia-3,7-diazaspiro[4.4]nonane
PubChem CID23135390
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name2-thia-3,7-diazaspiro[4.4]nonane
SMILESC1CC2(CN1)CNSC2
InChIInChI=1S/C6H12N2S/c1-2-7-3-6(1)4-8-9-5-6/h7-8H,1-5H2
InChIKeyNOUYKJIQZTWEBG-UHFFFAOYSA-N
XLogP0.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thia-3,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-thia-3,7-diazaspiro[4.4]nonane (CID 23135390) is 2-thia-3,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-thia-3,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-thia-3,7-diazaspiro[4.4]nonane is C1CC2(CN1)CNSC2.
What is the InChIKey of 2-thia-3,7-diazaspiro[4.4]nonane?
The InChIKey is NOUYKJIQZTWEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-2-7-3-6(1)4-8-9-5-6/h7-8H,1-5H2.
What are the key properties of 2-thia-3,7-diazaspiro[4.4]nonane?
2-thia-3,7-diazaspiro[4.4]nonane has a molecular weight of 144.24 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-3,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 23135390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).