(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C9H15N3O2 — CID 134828274

IUPAC(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(C)CNCC[C@]12NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-8(2)5-10-4-3-9(8)6(13)11-7(14)12-9/h10H,3-5H2,1-2H3,(H2,11,12,13,14)/t9-/m1/s1
InChIKeyPCOHJPXAIKNOPY-SECBINFHSA-N
MW197.24 g/mol
LogP-0.42
Rot. Bonds

About (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 134828274) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID134828274
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(C)CNCC[C@]12NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-8(2)5-10-4-3-9(8)6(13)11-7(14)12-9/h10H,3-5H2,1-2H3,(H2,11,12,13,14)/t9-/m1/s1
InChIKeyPCOHJPXAIKNOPY-SECBINFHSA-N
XLogP-0.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 135240843
6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 114499550
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 83873875
4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid
CID 119026255
(5R)-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124537264
ethane;2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 166077351
8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 63122069
7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen
CID 143599230
8-amino-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118281748
2,10-diazaspiro[4.6]undecan-1-one
CID 105433866
2,9-diazaspiro[4.5]decan-1-one
CID 23135196

Frequently Asked Questions

What is the IUPAC name of (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 134828274) is (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC1(C)CNCC[C@]12NC(=O)NC2=O.
What is the InChIKey of (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PCOHJPXAIKNOPY-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-8(2)5-10-4-3-9(8)6(13)11-7(14)12-9/h10H,3-5H2,1-2H3,(H2,11,12,13,14)/t9-/m1/s1.
What are the key properties of (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 134828274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).