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

C9H15N3O5S — CID 78996101

IUPAC7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCOCCS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H15N3O5S/c1-17-4-5-18(15,16)12-3-2-9(6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14)
InChIKeyGPBPOBHKNJVCPV-UHFFFAOYSA-N
MW277.30 g/mol
LogP-1.75
Rot. Bonds4

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

7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996101) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996101
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCOCCS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H15N3O5S/c1-17-4-5-18(15,16)12-3-2-9(6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14)
InChIKeyGPBPOBHKNJVCPV-UHFFFAOYSA-N
XLogP-1.75
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996101) is 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is COCCS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is GPBPOBHKNJVCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-17-4-5-18(15,16)12-3-2-9(6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14).
What are the key properties of 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 277.30 g/mol, XLogP of -1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).