8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C10H13N5O4S — CID 102692224

IUPAC8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)c3ccn[nH]3)CC2)N1
InChIInChI=1S/C10H13N5O4S/c16-8-10(13-9(17)12-8)2-5-15(6-3-10)20(18,19)7-1-4-11-14-7/h1,4H,2-3,5-6H2,(H,11,14)(H2,12,13,16,17)
InChIKeyWXJPDMLNVKWRHD-UHFFFAOYSA-N
MW299.31 g/mol
LogP-1.23
Rot. Bonds2

About 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 102692224) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID102692224
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)c3ccn[nH]3)CC2)N1
InChIInChI=1S/C10H13N5O4S/c16-8-10(13-9(17)12-8)2-5-15(6-3-10)20(18,19)7-1-4-11-14-7/h1,4H,2-3,5-6H2,(H,11,14)(H2,12,13,16,17)
InChIKeyWXJPDMLNVKWRHD-UHFFFAOYSA-N
XLogP-1.23
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
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 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 102692224) is 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccn[nH]3)CC2)N1.
What is the InChIKey of 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WXJPDMLNVKWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c16-8-10(13-9(17)12-8)2-5-15(6-3-10)20(18,19)7-1-4-11-14-7/h1,4H,2-3,5-6H2,(H,11,14)(H2,12,13,16,17).
What are the key properties of 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 299.31 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 102692224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).