8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H14ClN5O4S — CID 34095264

IUPAC8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1Cl
InChIInChI=1S/C11H14ClN5O4S/c1-16-6-13-8(7(16)12)22(20,21)17-4-2-11(3-5-17)9(18)14-10(19)15-11/h6H,2-5H2,1H3,(H2,14,15,18,19)
InChIKeyGWCNPIRMTKSQAN-UHFFFAOYSA-N
MW347.78 g/mol
LogP-0.56
Rot. Bonds2

About 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 34095264) has the molecular formula C11H14ClN5O4S and a molecular weight of 347.78 g/mol. Its IUPAC name is 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID34095264
Molecular FormulaC11H14ClN5O4S
Molecular Weight347.78 g/mol
Exact Mass347.05
IUPAC Name8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1Cl
InChIInChI=1S/C11H14ClN5O4S/c1-16-6-13-8(7(16)12)22(20,21)17-4-2-11(3-5-17)9(18)14-10(19)15-11/h6H,2-5H2,1H3,(H2,14,15,18,19)
InChIKeyGWCNPIRMTKSQAN-UHFFFAOYSA-N
XLogP-0.56
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 34095264) is 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cn1cnc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1Cl.
What is the InChIKey of 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GWCNPIRMTKSQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O4S/c1-16-6-13-8(7(16)12)22(20,21)17-4-2-11(3-5-17)9(18)14-10(19)15-11/h6H,2-5H2,1H3,(H2,14,15,18,19).
What are the key properties of 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 347.78 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 34095264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).