2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane

C14H24N4O2S — CID 50980409

IUPAC2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCc1nc(S(=O)(=O)N2CCC3(CCN(C)CC3)C2)cn1C
InChIInChI=1S/C14H24N4O2S/c1-12-15-13(10-17(12)3)21(19,20)18-9-6-14(11-18)4-7-16(2)8-5-14/h10H,4-9,11H2,1-3H3
InChIKeyQTEZAPBYBHKIHB-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.83
Rot. Bonds2

About 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane

2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 50980409) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID50980409
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCc1nc(S(=O)(=O)N2CCC3(CCN(C)CC3)C2)cn1C
InChIInChI=1S/C14H24N4O2S/c1-12-15-13(10-17(12)3)21(19,20)18-9-6-14(11-18)4-7-16(2)8-5-14/h10H,4-9,11H2,1-3H3
InChIKeyQTEZAPBYBHKIHB-UHFFFAOYSA-N
XLogP0.83
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane (CID 50980409) is 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane is Cc1nc(S(=O)(=O)N2CCC3(CCN(C)CC3)C2)cn1C.
What is the InChIKey of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is QTEZAPBYBHKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12-15-13(10-17(12)3)21(19,20)18-9-6-14(11-18)4-7-16(2)8-5-14/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane?
2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 312.44 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 50980409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).