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

C13H23N3O4S — CID 27622499

IUPAC3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)NC2(CCN(S(=O)(=O)CCC)CC2)C1=O
InChIInChI=1S/C13H23N3O4S/c1-3-7-16-11(17)13(14-12(16)18)5-8-15(9-6-13)21(19,20)10-4-2/h3-10H2,1-2H3,(H,14,18)
InChIKeySCLKWOLFSHDKSU-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.52
Rot. Bonds5

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

3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27622499) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27622499
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)NC2(CCN(S(=O)(=O)CCC)CC2)C1=O
InChIInChI=1S/C13H23N3O4S/c1-3-7-16-11(17)13(14-12(16)18)5-8-15(9-6-13)21(19,20)10-4-2/h3-10H2,1-2H3,(H,14,18)
InChIKeySCLKWOLFSHDKSU-UHFFFAOYSA-N
XLogP0.52
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.52
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 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27622499) is 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1C(=O)NC2(CCN(S(=O)(=O)CCC)CC2)C1=O.
What is the InChIKey of 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SCLKWOLFSHDKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-3-7-16-11(17)13(14-12(16)18)5-8-15(9-6-13)21(19,20)10-4-2/h3-10H2,1-2H3,(H,14,18).
What are the key properties of 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 317.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27622499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).