9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane

C13H22N4O2S — CID 131662991

IUPAC9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane
SMILESCN1CCCC2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1
InChIInChI=1S/C13H22N4O2S/c1-15-6-3-4-13(9-15)5-7-17(10-13)20(18,19)12-8-16(2)11-14-12/h8,11H,3-7,9-10H2,1-2H3
InChIKeyQVCCWEOLPCMWHQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.53
Rot. Bonds2

About 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane

9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 131662991) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID131662991
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane
SMILESCN1CCCC2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1
InChIInChI=1S/C13H22N4O2S/c1-15-6-3-4-13(9-15)5-7-17(10-13)20(18,19)12-8-16(2)11-14-12/h8,11H,3-7,9-10H2,1-2H3
InChIKeyQVCCWEOLPCMWHQ-UHFFFAOYSA-N
XLogP0.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane (CID 131662991) is 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane is CN1CCCC2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1.
What is the InChIKey of 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is QVCCWEOLPCMWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-15-6-3-4-13(9-15)5-7-17(10-13)20(18,19)12-8-16(2)11-14-12/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane?
9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 298.41 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131662991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).