2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole

C14H19N3O2S2 — CID 70750663

IUPAC2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole
SMILESCc1ccsc1-c1nccn1CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C14H19N3O2S2/c1-12-4-10-20-13(12)14-15-5-8-16(14)9-11-21(18,19)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9,11H2,1H3
InChIKeyWWVIFSYLMBNFOQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.35
Rot. Bonds5

About 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole

2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole (PubChem CID 70750663) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole
PubChem CID70750663
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole
SMILESCc1ccsc1-c1nccn1CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C14H19N3O2S2/c1-12-4-10-20-13(12)14-15-5-8-16(14)9-11-21(18,19)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9,11H2,1H3
InChIKeyWWVIFSYLMBNFOQ-UHFFFAOYSA-N
XLogP2.35
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole?
The IUPAC name of 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole (CID 70750663) is 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole is Cc1ccsc1-c1nccn1CCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole?
The InChIKey is WWVIFSYLMBNFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-12-4-10-20-13(12)14-15-5-8-16(14)9-11-21(18,19)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9,11H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole?
2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole has a molecular weight of 325.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole is sourced from PubChem (CID 70750663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).