5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole

C11H13N3O2S2 — CID 20895686

IUPAC5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole
SMILESO=S(=O)(c1cnc[nH]1)N1CCCC1c1cccs1
InChIInChI=1S/C11H13N3O2S2/c15-18(16,11-7-12-8-13-11)14-5-1-3-9(14)10-4-2-6-17-10/h2,4,6-9H,1,3,5H2,(H,12,13)
InChIKeyJOSZUQIOEORFGF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.00
Rot. Bonds3

About 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole

5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole (PubChem CID 20895686) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole.

Molecular Properties

Compound Name5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole
PubChem CID20895686
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole
SMILESO=S(=O)(c1cnc[nH]1)N1CCCC1c1cccs1
InChIInChI=1S/C11H13N3O2S2/c15-18(16,11-7-12-8-13-11)14-5-1-3-9(14)10-4-2-6-17-10/h2,4,6-9H,1,3,5H2,(H,12,13)
InChIKeyJOSZUQIOEORFGF-UHFFFAOYSA-N
XLogP2.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole?
The IUPAC name of 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole (CID 20895686) is 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole.
What is the SMILES notation for 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole?
The canonical SMILES for 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole is O=S(=O)(c1cnc[nH]1)N1CCCC1c1cccs1.
What is the InChIKey of 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole?
The InChIKey is JOSZUQIOEORFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c15-18(16,11-7-12-8-13-11)14-5-1-3-9(14)10-4-2-6-17-10/h2,4,6-9H,1,3,5H2,(H,12,13).
What are the key properties of 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole?
5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole has a molecular weight of 283.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-1H-imidazole is sourced from PubChem (CID 20895686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).