3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane

C8H11N3O2S — CID 130854678

IUPAC3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane
SMILESO=S(=O)(c1ncc[nH]1)N1CC2CC2C1
InChIInChI=1S/C8H11N3O2S/c12-14(13,8-9-1-2-10-8)11-4-6-3-7(6)5-11/h1-2,6-7H,3-5H2,(H,9,10)
InChIKeyLHHOQWQBMGBMOA-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.05
Rot. Bonds2

About 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane

3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 130854678) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane
PubChem CID130854678
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane
SMILESO=S(=O)(c1ncc[nH]1)N1CC2CC2C1
InChIInChI=1S/C8H11N3O2S/c12-14(13,8-9-1-2-10-8)11-4-6-3-7(6)5-11/h1-2,6-7H,3-5H2,(H,9,10)
InChIKeyLHHOQWQBMGBMOA-UHFFFAOYSA-N
XLogP0.05
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane (CID 130854678) is 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane is O=S(=O)(c1ncc[nH]1)N1CC2CC2C1.
What is the InChIKey of 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is LHHOQWQBMGBMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-14(13,8-9-1-2-10-8)11-4-6-3-7(6)5-11/h1-2,6-7H,3-5H2,(H,9,10).
What are the key properties of 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane?
3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 213.26 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylsulfonyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130854678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).