4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide

C10H15BrN2O2S — CID 117260015

IUPAC4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide
SMILESCCn1c(C2CCS(=O)(=O)CC2)cnc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-2-13-9(7-12-10(13)11)8-3-5-16(14,15)6-4-8/h7-8H,2-6H2,1H3
InChIKeyOUMAWOVUSOGRME-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.96
Rot. Bonds2

About 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide

4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide (PubChem CID 117260015) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide
PubChem CID117260015
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide
SMILESCCn1c(C2CCS(=O)(=O)CC2)cnc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-2-13-9(7-12-10(13)11)8-3-5-16(14,15)6-4-8/h7-8H,2-6H2,1H3
InChIKeyOUMAWOVUSOGRME-UHFFFAOYSA-N
XLogP1.96
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide
CID 117259744
2-chloro-5-cyclohexyl-1-ethylimidazole
CID 117260188
2-bromo-1-methyl-5-(oxan-4-yl)imidazole
CID 117259832
4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide
CID 134601073
3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide
CID 117259132
3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
CID 105366729
[2-(1,1-dioxothian-4-yl)-1H-imidazol-5-yl]methanamine
CID 115037328
1-ethyl-5-(2-methylcyclopropyl)imidazol-2-amine
CID 130698488
(2R)-2-[5-(4-bromophenyl)-1-ethylimidazol-2-yl]sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 41357183
2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol
CID 115045575
[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 72848665
2-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089963

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide (CID 117260015) is 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide is CCn1c(C2CCS(=O)(=O)CC2)cnc1Br.
What is the InChIKey of 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide?
The InChIKey is OUMAWOVUSOGRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-2-13-9(7-12-10(13)11)8-3-5-16(14,15)6-4-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide?
4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide has a molecular weight of 307.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117260015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).