methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate

C10H15N3O4S — CID 20969620

IUPACmethyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C10H15N3O4S/c1-17-10(14)7-12-6-9(11-8-12)18(15,16)13-4-2-3-5-13/h6,8H,2-5,7H2,1H3
InChIKeyKLZVURKVGWZNLP-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.16
Rot. Bonds4

About methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate

methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate (PubChem CID 20969620) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate
PubChem CID20969620
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C10H15N3O4S/c1-17-10(14)7-12-6-9(11-8-12)18(15,16)13-4-2-3-5-13/h6,8H,2-5,7H2,1H3
InChIKeyKLZVURKVGWZNLP-UHFFFAOYSA-N
XLogP-0.16
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947129
N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947133
N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949569
N-[(5-methylfuran-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949556
N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947087
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947071
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20949449
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone
CID 20949851
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947074
N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947146
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
CID 79369882

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate (CID 20969620) is methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate is COC(=O)Cn1cnc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate?
The InChIKey is KLZVURKVGWZNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-17-10(14)7-12-6-9(11-8-12)18(15,16)13-4-2-3-5-13/h6,8H,2-5,7H2,1H3.
What are the key properties of methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate?
methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate has a molecular weight of 273.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate is sourced from PubChem (CID 20969620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).