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

C9H15N3O2 — CID 176666943

IUPAC(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CN(C)CCC12NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-6-5-12(2)4-3-9(6)7(13)10-8(14)11-9/h6H,3-5H2,1-2H3,(H2,10,11,13,14)/t6-,9?/m0/s1
InChIKeyGFYGIELFFUTLJV-AADKRJSRSA-N
MW197.24 g/mol
LogP-0.46
Rot. Bonds

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

(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 176666943) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID176666943
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CN(C)CCC12NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-6-5-12(2)4-3-9(6)7(13)10-8(14)11-9/h6H,3-5H2,1-2H3,(H2,10,11,13,14)/t6-,9?/m0/s1
InChIKeyGFYGIELFFUTLJV-AADKRJSRSA-N
XLogP-0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8,8-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 81320656
6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 114499550
6,8-dimethyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 131071152
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
CID 154701034
8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 156523451
(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 46939003
(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione
CID 129387528
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
(3S,4R)-4-iodo-1,3,4-trimethylpiperidine
CID 131969702
9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 20798889
6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 115563241
6-methoxy-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106872094

Frequently Asked Questions

What is the IUPAC name of (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 176666943) is (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@H]1CN(C)CCC12NC(=O)NC2=O.
What is the InChIKey of (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GFYGIELFFUTLJV-AADKRJSRSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-5-12(2)4-3-9(6)7(13)10-8(14)11-9/h6H,3-5H2,1-2H3,(H2,10,11,13,14)/t6-,9?/m0/s1.
What are the key properties of (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 176666943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).