8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H16N4O4S — CID 56809743

IUPAC8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)CN3CSCC3=O)CC2)N1
InChIInChI=1S/C12H16N4O4S/c17-8(5-16-7-21-6-9(16)18)15-3-1-12(2-4-15)10(19)13-11(20)14-12/h1-7H2,(H2,13,14,19,20)
InChIKeyXHXGUHAVFQEPCB-UHFFFAOYSA-N
MW312.35 g/mol
LogP-1.28
Rot. Bonds2

About 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 56809743) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID56809743
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)CN3CSCC3=O)CC2)N1
InChIInChI=1S/C12H16N4O4S/c17-8(5-16-7-21-6-9(16)18)15-3-1-12(2-4-15)10(19)13-11(20)14-12/h1-7H2,(H2,13,14,19,20)
InChIKeyXHXGUHAVFQEPCB-UHFFFAOYSA-N
XLogP-1.28
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 56809743) is 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)CN3CSCC3=O)CC2)N1.
What is the InChIKey of 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XHXGUHAVFQEPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c17-8(5-16-7-21-6-9(16)18)15-3-1-12(2-4-15)10(19)13-11(20)14-12/h1-7H2,(H2,13,14,19,20).
What are the key properties of 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 312.35 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 56809743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).