9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane

C10H15BrN4O4S — CID 106466618

IUPAC9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C10H15BrN4O4S/c1-14-9(8(11)12-13-14)20(16,17)15-4-2-3-10(7-15)18-5-6-19-10/h2-7H2,1H3
InChIKeyGZCNIKLUHZLPSX-UHFFFAOYSA-N
MW367.23 g/mol
LogP0.11
Rot. Bonds2

About 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane

9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 106466618) has the molecular formula C10H15BrN4O4S and a molecular weight of 367.23 g/mol. Its IUPAC name is 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID106466618
Molecular FormulaC10H15BrN4O4S
Molecular Weight367.23 g/mol
Exact Mass366.00
IUPAC Name9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C10H15BrN4O4S/c1-14-9(8(11)12-13-14)20(16,17)15-4-2-3-10(7-15)18-5-6-19-10/h2-7H2,1H3
InChIKeyGZCNIKLUHZLPSX-UHFFFAOYSA-N
XLogP0.11
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane (CID 106466618) is 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane is Cn1nnc(Br)c1S(=O)(=O)N1CCCC2(C1)OCCO2.
What is the InChIKey of 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is GZCNIKLUHZLPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O4S/c1-14-9(8(11)12-13-14)20(16,17)15-4-2-3-10(7-15)18-5-6-19-10/h2-7H2,1H3.
What are the key properties of 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane?
9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 367.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 106466618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).