8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H18N4O3S — CID 82908979

IUPAC8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C3CSCCN3)CC2)N1
InChIInChI=1S/C12H18N4O3S/c17-9(8-7-20-6-3-13-8)16-4-1-12(2-5-16)10(18)14-11(19)15-12/h8,13H,1-7H2,(H2,14,15,18,19)
InChIKeyUCCCZVYQLPWEIM-UHFFFAOYSA-N
MW298.37 g/mol
LogP-1.11
Rot. Bonds1

About 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82908979) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82908979
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C3CSCCN3)CC2)N1
InChIInChI=1S/C12H18N4O3S/c17-9(8-7-20-6-3-13-8)16-4-1-12(2-5-16)10(18)14-11(19)15-12/h8,13H,1-7H2,(H2,14,15,18,19)
InChIKeyUCCCZVYQLPWEIM-UHFFFAOYSA-N
XLogP-1.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82916453
(7,7-dimethyl-1,4-thiazepan-4-yl)-thiomorpholin-3-ylmethanone
CID 107454657
8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 63005449
(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone
CID 103355836
8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81128328
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone
CID 106313979
8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809743
8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809745
8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 114826313
8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 63122069
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657

Frequently Asked Questions

What is the IUPAC name of 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82908979) is 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)C3CSCCN3)CC2)N1.
What is the InChIKey of 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is UCCCZVYQLPWEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c17-9(8-7-20-6-3-13-8)16-4-1-12(2-5-16)10(18)14-11(19)15-12/h8,13H,1-7H2,(H2,14,15,18,19).
What are the key properties of 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 298.37 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82908979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).