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

C11H19N3O4S — CID 27622491

IUPAC8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)NC2(CCN(S(C)(=O)=O)CC2)C1=O
InChIInChI=1S/C11H19N3O4S/c1-3-6-14-9(15)11(12-10(14)16)4-7-13(8-5-11)19(2,17)18/h3-8H2,1-2H3,(H,12,16)
InChIKeyWVGMUQJIXGSKFB-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.26
Rot. Bonds3

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

8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27622491) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27622491
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)NC2(CCN(S(C)(=O)=O)CC2)C1=O
InChIInChI=1S/C11H19N3O4S/c1-3-6-14-9(15)11(12-10(14)16)4-7-13(8-5-11)19(2,17)18/h3-8H2,1-2H3,(H,12,16)
InChIKeyWVGMUQJIXGSKFB-UHFFFAOYSA-N
XLogP-0.26
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
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-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27622491) is 8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1C(=O)NC2(CCN(S(C)(=O)=O)CC2)C1=O.
What is the InChIKey of 8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WVGMUQJIXGSKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-6-14-9(15)11(12-10(14)16)4-7-13(8-5-11)19(2,17)18/h3-8H2,1-2H3,(H,12,16).
What are the key properties of 8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 289.36 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27622491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).