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

C11H15N5O4S — CID 60959472

IUPAC8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H15N5O4S/c1-7-8(6-12-15-7)21(19,20)16-4-2-11(3-5-16)9(17)13-10(18)14-11/h6H,2-5H2,1H3,(H,12,15)(H2,13,14,17,18)
InChIKeyZKEBKCWKOGBMCP-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.92
Rot. Bonds2

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

8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 60959472) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is 8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID60959472
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC Name8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H15N5O4S/c1-7-8(6-12-15-7)21(19,20)16-4-2-11(3-5-16)9(17)13-10(18)14-11/h6H,2-5H2,1H3,(H,12,15)(H2,13,14,17,18)
InChIKeyZKEBKCWKOGBMCP-UHFFFAOYSA-N
XLogP-0.92
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.92
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-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 60959472) is 8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1[nH]ncc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZKEBKCWKOGBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-7-8(6-12-15-7)21(19,20)16-4-2-11(3-5-16)9(17)13-10(18)14-11/h6H,2-5H2,1H3,(H,12,15)(H2,13,14,17,18).
What are the key properties of 8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 313.34 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 60959472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).