7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C9H11N5O4S — CID 102693237

IUPAC7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)c3ccn[nH]3)C2)N1
InChIInChI=1S/C9H11N5O4S/c15-7-9(12-8(16)11-7)2-4-14(5-9)19(17,18)6-1-3-10-13-6/h1,3H,2,4-5H2,(H,10,13)(H2,11,12,15,16)
InChIKeyANBWANLVXBKTRI-UHFFFAOYSA-N
MW285.28 g/mol
LogP-1.62
Rot. Bonds2

About 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 102693237) has the molecular formula C9H11N5O4S and a molecular weight of 285.28 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID102693237
Molecular FormulaC9H11N5O4S
Molecular Weight285.28 g/mol
Exact Mass285.05
IUPAC Name7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)c3ccn[nH]3)C2)N1
InChIInChI=1S/C9H11N5O4S/c15-7-9(12-8(16)11-7)2-4-14(5-9)19(17,18)6-1-3-10-13-6/h1,3H,2,4-5H2,(H,10,13)(H2,11,12,15,16)
InChIKeyANBWANLVXBKTRI-UHFFFAOYSA-N
XLogP-1.62
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-1.62
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 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 102693237) is 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccn[nH]3)C2)N1.
What is the InChIKey of 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ANBWANLVXBKTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S/c15-7-9(12-8(16)11-7)2-4-14(5-9)19(17,18)6-1-3-10-13-6/h1,3H,2,4-5H2,(H,10,13)(H2,11,12,15,16).
What are the key properties of 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 285.28 g/mol, XLogP of -1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-ylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 102693237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).