1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole

C13H23N3O3S — CID 129425471

IUPAC1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole
SMILESCOC[C@@H](C)S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C
InChIInChI=1S/C13H23N3O3S/c1-11(10-19-3)20(17,18)16-7-4-5-13(16)9-15-8-6-14-12(15)2/h6,8,11,13H,4-5,7,9-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyKPJVDYWOWSZUHV-YPMHNXCESA-N
MW301.41 g/mol
LogP1.02
Rot. Bonds6

About 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole

1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole (PubChem CID 129425471) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole
PubChem CID129425471
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole
SMILESCOC[C@@H](C)S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C
InChIInChI=1S/C13H23N3O3S/c1-11(10-19-3)20(17,18)16-7-4-5-13(16)9-15-8-6-14-12(15)2/h6,8,11,13H,4-5,7,9-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyKPJVDYWOWSZUHV-YPMHNXCESA-N
XLogP1.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole with MolForge

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Related Compounds

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CID 100691756
1-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 126806050
5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
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3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
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2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119954161
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119897750
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954160

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole?
The IUPAC name of 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole (CID 129425471) is 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole.
What is the SMILES notation for 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole?
The canonical SMILES for 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole is COC[C@@H](C)S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C.
What is the InChIKey of 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole?
The InChIKey is KPJVDYWOWSZUHV-YPMHNXCESA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11(10-19-3)20(17,18)16-7-4-5-13(16)9-15-8-6-14-12(15)2/h6,8,11,13H,4-5,7,9-10H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole?
1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole has a molecular weight of 301.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-[(2R)-1-methoxypropan-2-yl]sulfonylpyrrolidin-2-yl]methyl]-2-methylimidazole is sourced from PubChem (CID 129425471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).