1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole

C11H19N3O2S — CID 114718583

IUPAC1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
SMILESCS(=O)(=O)CCCn1cncc1C1CCNC1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)6-2-5-14-9-13-8-11(14)10-3-4-12-7-10/h8-10,12H,2-7H2,1H3
InChIKeyDIDSEWWKSGTASF-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.39
Rot. Bonds5

About 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole

1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114718583) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114718583
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
SMILESCS(=O)(=O)CCCn1cncc1C1CCNC1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)6-2-5-14-9-13-8-11(14)10-3-4-12-7-10/h8-10,12H,2-7H2,1H3
InChIKeyDIDSEWWKSGTASF-UHFFFAOYSA-N
XLogP0.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole (CID 114718583) is 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole is CS(=O)(=O)CCCn1cncc1C1CCNC1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is DIDSEWWKSGTASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-17(15,16)6-2-5-14-9-13-8-11(14)10-3-4-12-7-10/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole?
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 257.36 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114718583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).