N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine

C14H19NO4S — CID 115478576

IUPACN,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine
SMILESCCNC1c2cc3c(cc2S(=O)(=O)C1CC)OCCO3
InChIInChI=1S/C14H19NO4S/c1-3-12-14(15-4-2)9-7-10-11(19-6-5-18-10)8-13(9)20(12,16)17/h7-8,12,14-15H,3-6H2,1-2H3
InChIKeyVHHKZHKDUOJHTQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.67
Rot. Bonds3

About N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine

N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine (PubChem CID 115478576) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine.

Molecular Properties

Compound NameN,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine
PubChem CID115478576
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine
SMILESCCNC1c2cc3c(cc2S(=O)(=O)C1CC)OCCO3
InChIInChI=1S/C14H19NO4S/c1-3-12-14(15-4-2)9-7-10-11(19-6-5-18-10)8-13(9)20(12,16)17/h7-8,12,14-15H,3-6H2,1-2H3
InChIKeyVHHKZHKDUOJHTQ-UHFFFAOYSA-N
XLogP1.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine with MolForge

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Related Compounds

N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 79725403
N-ethyl-5,6-difluoro-1,1-dioxo-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049637
N-ethyl-7-methyl-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine
CID 113318325
N-ethyl-5-fluoro-1,1-dioxo-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049635
8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838
N-ethyl-7-oxo-8-propyl-3,4,8,9-tetrahydro-2H-thieno[2,3-h][1,5]benzodioxepin-9-amine
CID 83039665
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405
N-ethyl-6-oxo-2,3,7,8,9,10-hexahydrothiepino[2,3-g][1,4]benzodioxin-10-amine
CID 115478780
8,9-dimethyl-N-propyl-2,3,4,7,8,9-hexahydrocyclopenta[h][1,5]benzodioxepin-7-amine
CID 79726877
7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol
CID 79725802
8-ethyl-9-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 64686973
8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 63821748

Frequently Asked Questions

What is the IUPAC name of N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine?
The IUPAC name of N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine (CID 115478576) is N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine.
What is the SMILES notation for N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine?
The canonical SMILES for N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine is CCNC1c2cc3c(cc2S(=O)(=O)C1CC)OCCO3.
What is the InChIKey of N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine?
The InChIKey is VHHKZHKDUOJHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-12-14(15-4-2)9-7-10-11(19-6-5-18-10)8-13(9)20(12,16)17/h7-8,12,14-15H,3-6H2,1-2H3.
What are the key properties of N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine?
N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine has a molecular weight of 297.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-diethyl-6,6-dioxo-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine is sourced from PubChem (CID 115478576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).