3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide

C7H9BrN2O2S — CID 117259132

IUPAC3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2ncc(Br)[nH]2)C1
InChIInChI=1S/C7H9BrN2O2S/c8-6-3-9-7(10-6)5-1-2-13(11,12)4-5/h3,5H,1-2,4H2,(H,9,10)
InChIKeyYGQQEYWNQHJJFZ-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.07
Rot. Bonds1

About 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide

3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide (PubChem CID 117259132) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide
PubChem CID117259132
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2ncc(Br)[nH]2)C1
InChIInChI=1S/C7H9BrN2O2S/c8-6-3-9-7(10-6)5-1-2-13(11,12)4-5/h3,5H,1-2,4H2,(H,9,10)
InChIKeyYGQQEYWNQHJJFZ-UHFFFAOYSA-N
XLogP1.07
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1,1-dioxothiolan-3-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113289882
N-[[2-(1,1-dioxothiolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 115337463
3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide
CID 64906009
3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide
CID 117259808
[2-(1,1-dioxothian-4-yl)-1H-imidazol-5-yl]methanamine
CID 115037328
8-(1,1-dioxothiolan-3-yl)-7H-purin-6-amine
CID 114608252
2-(1,1-dioxothiolan-3-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136965600
4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide
CID 117259744
2-[(3R)-1,1-dioxothiolan-3-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 95136368
[2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 115037326
3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide
CID 115047827
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)thiolane 1,1-dioxide
CID 64905799

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide (CID 117259132) is 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2ncc(Br)[nH]2)C1.
What is the InChIKey of 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide?
The InChIKey is YGQQEYWNQHJJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c8-6-3-9-7(10-6)5-1-2-13(11,12)4-5/h3,5H,1-2,4H2,(H,9,10).
What are the key properties of 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide?
3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide has a molecular weight of 265.13 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117259132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).