N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

C15H22N2O4S — CID 91794318

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESCN(C)C1(CNC(=O)c2scc3c2OCCO3)CCOCC1
InChIInChI=1S/C15H22N2O4S/c1-17(2)15(3-5-19-6-4-15)10-16-14(18)13-12-11(9-22-13)20-7-8-21-12/h9H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyLTQDWNLACHQKDO-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.36
Rot. Bonds4

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (PubChem CID 91794318) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
PubChem CID91794318
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESCN(C)C1(CNC(=O)c2scc3c2OCCO3)CCOCC1
InChIInChI=1S/C15H22N2O4S/c1-17(2)15(3-5-19-6-4-15)10-16-14(18)13-12-11(9-22-13)20-7-8-21-12/h9H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyLTQDWNLACHQKDO-UHFFFAOYSA-N
XLogP1.36
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide with MolForge

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Related Compounds

2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
CID 119947204
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 111520491
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119885266
N-[1-[[methyl-[3-(4-methylphenyl)butanoyl]amino]methyl]cyclopropyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 166343565
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118789434
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 95768876
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 105419989
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71887575
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 167889797
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 131932276
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[3-(methanesulfonamido)phenyl]urea
CID 72917359

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (CID 91794318) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is CN(C)C1(CNC(=O)c2scc3c2OCCO3)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The InChIKey is LTQDWNLACHQKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-17(2)15(3-5-19-6-4-15)10-16-14(18)13-12-11(9-22-13)20-7-8-21-12/h9H,3-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is sourced from PubChem (CID 91794318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).