2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane

C13H21N3O2S — CID 71871362

IUPAC2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCCCC3)C2)c1
InChIInChI=1S/C13H21N3O2S/c1-15-9-12(14-11-15)19(17,18)16-8-7-13(10-16)5-3-2-4-6-13/h9,11H,2-8,10H2,1H3
InChIKeyAAJSQXKYVKMYBG-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.76
Rot. Bonds2

About 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane

2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane (PubChem CID 71871362) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
PubChem CID71871362
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCCCC3)C2)c1
InChIInChI=1S/C13H21N3O2S/c1-15-9-12(14-11-15)19(17,18)16-8-7-13(10-16)5-3-2-4-6-13/h9,11H,2-8,10H2,1H3
InChIKeyAAJSQXKYVKMYBG-UHFFFAOYSA-N
XLogP1.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane?
The IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane (CID 71871362) is 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane is Cn1cnc(S(=O)(=O)N2CCC3(CCCCC3)C2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane?
The InChIKey is AAJSQXKYVKMYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-15-9-12(14-11-15)19(17,18)16-8-7-13(10-16)5-3-2-4-6-13/h9,11H,2-8,10H2,1H3.
What are the key properties of 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane?
2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane has a molecular weight of 283.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane is sourced from PubChem (CID 71871362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).