4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide

C12H16N4O2S — CID 155918918

IUPAC4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide
SMILESCn1ccnc1-c1nccn1C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H16N4O2S/c1-15-6-4-13-11(15)12-14-5-7-16(12)10-2-8-19(17,18)9-3-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyCUHRKIHAMOGKAY-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.03
Rot. Bonds2

About 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide

4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide (PubChem CID 155918918) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide
PubChem CID155918918
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide
SMILESCn1ccnc1-c1nccn1C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H16N4O2S/c1-15-6-4-13-11(15)12-14-5-7-16(12)10-2-8-19(17,18)9-3-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyCUHRKIHAMOGKAY-UHFFFAOYSA-N
XLogP1.03
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154821323
4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154567633
4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154563991
4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154815819
acetic acid;4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938294
4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]thiane 1,1-dioxide
CID 154817593
(4S)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 96581489
3-(1-methylimidazol-2-yl)sulfanylthiolane 1,1-dioxide
CID 5128091
1-cyclobutyl-2-(1-methylpyrazol-3-yl)imidazole
CID 155911708
acetic acid;4-[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938497
tert-butyl 3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171973729
1-(3-chlorophenyl)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 154568444

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide?
The IUPAC name of 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide (CID 155918918) is 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide?
The canonical SMILES for 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide is Cn1ccnc1-c1nccn1C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide?
The InChIKey is CUHRKIHAMOGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15-6-4-13-11(15)12-14-5-7-16(12)10-2-8-19(17,18)9-3-10/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide?
4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide has a molecular weight of 280.35 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide is sourced from PubChem (CID 155918918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).