7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C10H15N3O5S — CID 112692300

IUPAC7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C(=O)N1CCC2(C1)NC(=O)NC2=O)S(C)(=O)=O
InChIInChI=1S/C10H15N3O5S/c1-6(19(2,17)18)7(14)13-4-3-10(5-13)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16)
InChIKeyCDMUOYOXAVRUNU-UHFFFAOYSA-N
MW289.31 g/mol
LogP-1.77
Rot. Bonds2

About 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 112692300) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID112692300
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C(=O)N1CCC2(C1)NC(=O)NC2=O)S(C)(=O)=O
InChIInChI=1S/C10H15N3O5S/c1-6(19(2,17)18)7(14)13-4-3-10(5-13)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16)
InChIKeyCDMUOYOXAVRUNU-UHFFFAOYSA-N
XLogP-1.77
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107905582
7-(3-amino-2-methoxypropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 106113360
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 113374783
2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one
CID 122675593
(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 98767916
8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 112692300) is 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(C(=O)N1CCC2(C1)NC(=O)NC2=O)S(C)(=O)=O.
What is the InChIKey of 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is CDMUOYOXAVRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-6(19(2,17)18)7(14)13-4-3-10(5-13)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16).
What are the key properties of 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 289.31 g/mol, XLogP of -1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 112692300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).