N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide

C16H19N3O5S — CID 75367547

IUPACN-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1
InChIInChI=1S/C16H19N3O5S/c1-25(20,21)18-7-12-9-19-13(8-17-16(19)10-24-12)11-2-3-14-15(6-11)23-5-4-22-14/h2-3,6,8,12,18H,4-5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyRCLZTJXDVWSWMD-LBPRGKRZSA-N
MW365.41 g/mol
LogP0.77
Rot. Bonds4

About N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide

N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide (PubChem CID 75367547) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
PubChem CID75367547
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1
InChIInChI=1S/C16H19N3O5S/c1-25(20,21)18-7-12-9-19-13(8-17-16(19)10-24-12)11-2-3-14-15(6-11)23-5-4-22-14/h2-3,6,8,12,18H,4-5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyRCLZTJXDVWSWMD-LBPRGKRZSA-N
XLogP0.77
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
CID 162802327
1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 75367582
1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 75367589
4-chloro-N-[[(6R)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzenesulfonamide
CID 75367472
1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
CID 163076154
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 30538790
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]methanesulfonamide
CID 110371412
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 30989759
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 18193871
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95977930
(3R)-3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyloxolan-2-one
CID 94819417

Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide (CID 75367547) is N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1.
What is the InChIKey of N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The InChIKey is RCLZTJXDVWSWMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-25(20,21)18-7-12-9-19-13(8-17-16(19)10-24-12)11-2-3-14-15(6-11)23-5-4-22-14/h2-3,6,8,12,18H,4-5,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide has a molecular weight of 365.41 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 75367547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).