1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H24N4O5S — CID 165418331

IUPAC1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)N3CCOCC3)CC2)N1Cc1ccccc1
InChIInChI=1S/C18H24N4O5S/c23-16-18(22(17(24)19-16)14-15-4-2-1-3-5-15)6-8-20(9-7-18)28(25,26)21-10-12-27-13-11-21/h1-5H,6-14H2,(H,19,23,24)
InChIKeyQBSGGAAKMWVCJE-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.15
Rot. Bonds4

About 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165418331) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165418331
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)N3CCOCC3)CC2)N1Cc1ccccc1
InChIInChI=1S/C18H24N4O5S/c23-16-18(22(17(24)19-16)14-15-4-2-1-3-5-15)6-8-20(9-7-18)28(25,26)21-10-12-27-13-11-21/h1-5H,6-14H2,(H,19,23,24)
InChIKeyQBSGGAAKMWVCJE-UHFFFAOYSA-N
XLogP0.15
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165418331) is 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(S(=O)(=O)N3CCOCC3)CC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is QBSGGAAKMWVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c23-16-18(22(17(24)19-16)14-15-4-2-1-3-5-15)6-8-20(9-7-18)28(25,26)21-10-12-27-13-11-21/h1-5H,6-14H2,(H,19,23,24).
What are the key properties of 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 408.48 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165418331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).