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

C10H17N3O4S — CID 78996289

IUPAC7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)CS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H17N3O4S/c1-7(2)5-18(16,17)13-4-3-10(6-13)8(14)11-9(15)12-10/h7H,3-6H2,1-2H3,(H2,11,12,14,15)
InChIKeyICKMOENCIAEJHB-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.74
Rot. Bonds3

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

7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996289) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996289
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)CS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H17N3O4S/c1-7(2)5-18(16,17)13-4-3-10(6-13)8(14)11-9(15)12-10/h7H,3-6H2,1-2H3,(H2,11,12,14,15)
InChIKeyICKMOENCIAEJHB-UHFFFAOYSA-N
XLogP-0.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996289) is 7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(C)CS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ICKMOENCIAEJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7(2)5-18(16,17)13-4-3-10(6-13)8(14)11-9(15)12-10/h7H,3-6H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 275.33 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).