(2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one

C17H21N3O4S — CID 57042698

IUPAC(2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one
SMILESO=C(c1ncc[nH]1)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O4S/c21-16(17-18-6-7-19-17)15(12-14-4-2-1-3-5-14)13-25(22,23)20-8-10-24-11-9-20/h1-7,15H,8-13H2,(H,18,19)/t15-/m1/s1
InChIKeyAMZRHKDRFITQSA-OAHLLOKOSA-N
MW363.44 g/mol
LogP1.11
Rot. Bonds7

About (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one

(2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one (PubChem CID 57042698) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one
PubChem CID57042698
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one
SMILESO=C(c1ncc[nH]1)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O4S/c21-16(17-18-6-7-19-17)15(12-14-4-2-1-3-5-14)13-25(22,23)20-8-10-24-11-9-20/h1-7,15H,8-13H2,(H,18,19)/t15-/m1/s1
InChIKeyAMZRHKDRFITQSA-OAHLLOKOSA-N
XLogP1.11
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The IUPAC name of (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one (CID 57042698) is (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one.
What is the SMILES notation for (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The canonical SMILES for (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one is O=C(c1ncc[nH]1)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The InChIKey is AMZRHKDRFITQSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-16(17-18-6-7-19-17)15(12-14-4-2-1-3-5-14)13-25(22,23)20-8-10-24-11-9-20/h1-7,15H,8-13H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
(2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one has a molecular weight of 363.44 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-1-(1H-imidazol-2-yl)-3-morpholin-4-ylsulfonylpropan-1-one is sourced from PubChem (CID 57042698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).