1-thia-4,8-diazaspiro[4.5]decan-3-one

C7H12N2OS — CID 10419642

IUPAC1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCNCC2)N1
InChIInChI=1S/C7H12N2OS/c10-6-5-11-7(9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKeyZRYXFTYZSNHVDQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP-0.07
Rot. Bonds

About 1-thia-4,8-diazaspiro[4.5]decan-3-one

1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 10419642) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID10419642
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCNCC2)N1
InChIInChI=1S/C7H12N2OS/c10-6-5-11-7(9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKeyZRYXFTYZSNHVDQ-UHFFFAOYSA-N
XLogP-0.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-thia-4,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 10419642) is 1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 1-thia-4,8-diazaspiro[4.5]decan-3-one is O=C1CSC2(CCNCC2)N1.
What is the InChIKey of 1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZRYXFTYZSNHVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c10-6-5-11-7(9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10).
What are the key properties of 1-thia-4,8-diazaspiro[4.5]decan-3-one?
1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 172.25 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 10419642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).