8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H19N3O4S — CID 62733501

IUPAC8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H19N3O4S/c1-8(2)7-19(17,18)14-5-3-11(4-6-14)9(15)12-10(16)13-11/h8H,3-7H2,1-2H3,(H2,12,13,15,16)
InChIKeyYHBPNBWRJYJOKW-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.35
Rot. Bonds3

About 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 62733501) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID62733501
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H19N3O4S/c1-8(2)7-19(17,18)14-5-3-11(4-6-14)9(15)12-10(16)13-11/h8H,3-7H2,1-2H3,(H2,12,13,15,16)
InChIKeyYHBPNBWRJYJOKW-UHFFFAOYSA-N
XLogP-0.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 62733501) is 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YHBPNBWRJYJOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-8(2)7-19(17,18)14-5-3-11(4-6-14)9(15)12-10(16)13-11/h8H,3-7H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 289.36 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62733501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).