1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C11H19N3OS — CID 104943720

IUPAC1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(CS(C)=O)n1cncc1[C@@H]1CCCN1
InChIInChI=1S/C11H19N3OS/c1-9(7-16(2)15)14-8-12-6-11(14)10-4-3-5-13-10/h6,8-10,13H,3-5,7H2,1-2H3/t9?,10-,16?/m0/s1
InChIKeyQKGASFQCAOWBQG-MAXPVNGDSA-N
MW241.36 g/mol
LogP1.25
Rot. Bonds4

About 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104943720) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104943720
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(CS(C)=O)n1cncc1[C@@H]1CCCN1
InChIInChI=1S/C11H19N3OS/c1-9(7-16(2)15)14-8-12-6-11(14)10-4-3-5-13-10/h6,8-10,13H,3-5,7H2,1-2H3/t9?,10-,16?/m0/s1
InChIKeyQKGASFQCAOWBQG-MAXPVNGDSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705914
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
CID 114706396
1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
CID 114707453
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942681
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849
1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one
CID 114707108

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104943720) is 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CC(CS(C)=O)n1cncc1[C@@H]1CCCN1.
What is the InChIKey of 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is QKGASFQCAOWBQG-MAXPVNGDSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(7-16(2)15)14-8-12-6-11(14)10-4-3-5-13-10/h6,8-10,13H,3-5,7H2,1-2H3/t9?,10-,16?/m0/s1.
What are the key properties of 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 241.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104943720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).