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

C10H10ClN3O4S2 — CID 78996269

IUPAC7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(Cl)s3)C2)N1
InChIInChI=1S/C10H10ClN3O4S2/c11-6-1-2-7(19-6)20(17,18)14-4-3-10(5-14)8(15)12-9(16)13-10/h1-2H,3-5H2,(H2,12,13,15,16)
InChIKeyYUEXIRZQQPTEGE-UHFFFAOYSA-N
MW335.79 g/mol
LogP0.37
Rot. Bonds2

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

7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996269) has the molecular formula C10H10ClN3O4S2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996269
Molecular FormulaC10H10ClN3O4S2
Molecular Weight335.79 g/mol
Exact Mass334.98
IUPAC Name7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(Cl)s3)C2)N1
InChIInChI=1S/C10H10ClN3O4S2/c11-6-1-2-7(19-6)20(17,18)14-4-3-10(5-14)8(15)12-9(16)13-10/h1-2H,3-5H2,(H2,12,13,15,16)
InChIKeyYUEXIRZQQPTEGE-UHFFFAOYSA-N
XLogP0.37
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 50.37
H-Bond Donors ≤ 52
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-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996269) is 7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(Cl)s3)C2)N1.
What is the InChIKey of 7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is YUEXIRZQQPTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S2/c11-6-1-2-7(19-6)20(17,18)14-4-3-10(5-14)8(15)12-9(16)13-10/h1-2H,3-5H2,(H2,12,13,15,16).
What are the key properties of 7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 335.79 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).