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

C10H13N5O4S — CID 78996250

IUPAC7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H13N5O4S/c1-6-7(4-11-14-6)20(18,19)15-3-2-10(5-15)8(16)12-9(17)13-10/h4H,2-3,5H2,1H3,(H,11,14)(H2,12,13,16,17)
InChIKeyQBKYREZKRSGDNO-UHFFFAOYSA-N
MW299.31 g/mol
LogP-1.31
Rot. Bonds2

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

7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996250) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996250
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H13N5O4S/c1-6-7(4-11-14-6)20(18,19)15-3-2-10(5-15)8(16)12-9(17)13-10/h4H,2-3,5H2,1H3,(H,11,14)(H2,12,13,16,17)
InChIKeyQBKYREZKRSGDNO-UHFFFAOYSA-N
XLogP-1.31
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 ≤ 5-1.31
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-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996250) is 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is Cc1[nH]ncc1S(=O)(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is QBKYREZKRSGDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-6-7(4-11-14-6)20(18,19)15-3-2-10(5-15)8(16)12-9(17)13-10/h4H,2-3,5H2,1H3,(H,11,14)(H2,12,13,16,17).
What are the key properties of 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 299.31 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).