1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H25N3O2S — CID 26221856

IUPAC1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(C)C(=O)C12CCN([C@@H](C)CSC)CC2
InChIInChI=1S/C14H25N3O2S/c1-5-17-13(19)15(3)12(18)14(17)6-8-16(9-7-14)11(2)10-20-4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyDKUFCEDXYALKCD-NSHDSACASA-N
MW299.44 g/mol
LogP1.49
Rot. Bonds4

About 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26221856) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26221856
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(C)C(=O)C12CCN([C@@H](C)CSC)CC2
InChIInChI=1S/C14H25N3O2S/c1-5-17-13(19)15(3)12(18)14(17)6-8-16(9-7-14)11(2)10-20-4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyDKUFCEDXYALKCD-NSHDSACASA-N
XLogP1.49
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220331
1-ethyl-8-[(2R)-1-methylsulfanylpropan-2-yl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143532
1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166054973
1-(3-methylbutyl)-8-[(2R)-1-methylsulfanylpropan-2-yl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224271
1-[2-(4-methoxyphenyl)ethyl]-8-[(2R)-1-methoxypropan-2-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230621
1-[2-(4-methoxyphenyl)ethyl]-8-(1-methoxypropan-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164431
2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26229853
8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164484
3-[2-(dimethylamino)ethyl]-1-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220097
8-[(2R)-butan-2-yl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231274
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26145179

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26221856) is 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(C)C(=O)C12CCN([C@@H](C)CSC)CC2.
What is the InChIKey of 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is DKUFCEDXYALKCD-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-17-13(19)15(3)12(18)14(17)6-8-16(9-7-14)11(2)10-20-4/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 299.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26221856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).