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

C14H23N3O2S — CID 71997293

IUPAC2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
SMILESCc1nc(S(=O)(=O)N2CCC3(CCCCC3)C2)cn1C
InChIInChI=1S/C14H23N3O2S/c1-12-15-13(10-16(12)2)20(18,19)17-9-8-14(11-17)6-4-3-5-7-14/h10H,3-9,11H2,1-2H3
InChIKeyPCSOYJIVBSPKLK-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds2

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

2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane (PubChem CID 71997293) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
PubChem CID71997293
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
SMILESCc1nc(S(=O)(=O)N2CCC3(CCCCC3)C2)cn1C
InChIInChI=1S/C14H23N3O2S/c1-12-15-13(10-16(12)2)20(18,19)17-9-8-14(11-17)6-4-3-5-7-14/h10H,3-9,11H2,1-2H3
InChIKeyPCSOYJIVBSPKLK-UHFFFAOYSA-N
XLogP2.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane?
The IUPAC name of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane (CID 71997293) is 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane is Cc1nc(S(=O)(=O)N2CCC3(CCCCC3)C2)cn1C.
What is the InChIKey of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane?
The InChIKey is PCSOYJIVBSPKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12-15-13(10-16(12)2)20(18,19)17-9-8-14(11-17)6-4-3-5-7-14/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane?
2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane has a molecular weight of 297.42 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane is sourced from PubChem (CID 71997293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).