3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide

C17H27N3O4S — CID 135110943

IUPAC3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
SMILESCN(C)Cc1cccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O4S/c1-19(2)9-13-6-5-7-14(8-13)17(21)18-16-11-24-10-15(16)12-25(22,23)20(3)4/h5-8,15-16H,9-12H2,1-4H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyRYTLKZHTXUQCCB-HOTGVXAUSA-N
MW369.49 g/mol
LogP0.38
Rot. Bonds7

About 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide

3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide (PubChem CID 135110943) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
PubChem CID135110943
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
SMILESCN(C)Cc1cccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O4S/c1-19(2)9-13-6-5-7-14(8-13)17(21)18-16-11-24-10-15(16)12-25(22,23)20(3)4/h5-8,15-16H,9-12H2,1-4H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyRYTLKZHTXUQCCB-HOTGVXAUSA-N
XLogP0.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide (CID 135110943) is 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide is CN(C)Cc1cccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide?
The InChIKey is RYTLKZHTXUQCCB-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-19(2)9-13-6-5-7-14(8-13)17(21)18-16-11-24-10-15(16)12-25(22,23)20(3)4/h5-8,15-16H,9-12H2,1-4H3,(H,18,21)/t15-,16-/m0/s1.
What are the key properties of 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide?
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 135110943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).