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

C12H20N4O2S — CID 120718639

IUPAC2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C12H20N4O2S/c1-15-8-11(14-10-15)19(17,18)16-7-4-12(9-16)2-5-13-6-3-12/h8,10,13H,2-7,9H2,1H3
InChIKeyJVXYOBCQJJBBOX-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.18
Rot. Bonds2

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

2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 120718639) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID120718639
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C12H20N4O2S/c1-15-8-11(14-10-15)19(17,18)16-7-4-12(9-16)2-5-13-6-3-12/h8,10,13H,2-7,9H2,1H3
InChIKeyJVXYOBCQJJBBOX-UHFFFAOYSA-N
XLogP0.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660489
(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471958
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149609
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
CID 113343875
2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718665
(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one
CID 97489759
3-ethyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 55167113
3-(1-methylimidazol-4-yl)sulfonyl-8-oxa-3-azaspiro[5.6]dodec-10-ene
CID 155984004
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161341
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 110258940

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane (CID 120718639) is 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane is Cn1cnc(S(=O)(=O)N2CCC3(CCNCC3)C2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is JVXYOBCQJJBBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15-8-11(14-10-15)19(17,18)16-7-4-12(9-16)2-5-13-6-3-12/h8,10,13H,2-7,9H2,1H3.
What are the key properties of 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane?
2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 284.38 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120718639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).