8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H19N3O4S — CID 47371824

IUPAC8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H19N3O4S/c1-2-3-8-19(17,18)14-6-4-11(5-7-14)9(15)12-10(16)13-11/h2-8H2,1H3,(H2,12,13,15,16)
InChIKeyLPCDGPIUVACYMF-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.21
Rot. Bonds4

About 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 47371824) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID47371824
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H19N3O4S/c1-2-3-8-19(17,18)14-6-4-11(5-7-14)9(15)12-10(16)13-11/h2-8H2,1H3,(H2,12,13,15,16)
InChIKeyLPCDGPIUVACYMF-UHFFFAOYSA-N
XLogP-0.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.21
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 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 47371824) is 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LPCDGPIUVACYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-2-3-8-19(17,18)14-6-4-11(5-7-14)9(15)12-10(16)13-11/h2-8H2,1H3,(H2,12,13,15,16).
What are the key properties of 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 289.36 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47371824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).