6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine

C14H19NO3S — CID 115478772

IUPAC6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
SMILESCC(C)NC1CCS(=O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C14H19NO3S/c1-9(2)15-11-3-6-19(16)14-8-13-12(7-10(11)14)17-4-5-18-13/h7-9,11,15H,3-6H2,1-2H3
InChIKeyGAGUWYXIHXLIOX-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.01
Rot. Bonds2

About 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine

6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine (PubChem CID 115478772) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
PubChem CID115478772
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
SMILESCC(C)NC1CCS(=O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C14H19NO3S/c1-9(2)15-11-3-6-19(16)14-8-13-12(7-10(11)14)17-4-5-18-13/h7-9,11,15H,3-6H2,1-2H3
InChIKeyGAGUWYXIHXLIOX-UHFFFAOYSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine with MolForge

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Related Compounds

N-methyl-6-oxo-2,3,7,8,9,10-hexahydrothiepino[2,3-g][1,4]benzodioxin-10-amine
CID 115478789
N-ethyl-6-oxo-2,3,7,8,9,10-hexahydrothiepino[2,3-g][1,4]benzodioxin-10-amine
CID 115478780
6-tert-butyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287920
N-propan-2-yl-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h][1]benzoxepin-9-amine
CID 43512398
5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287710
7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79982699
8-bromo-7-fluoro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 83234979
7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
CID 115478782
(5S)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-amine
CID 129372367
8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 82184552
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
6,8-dichloro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43621794

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine?
The IUPAC name of 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine (CID 115478772) is 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine.
What is the SMILES notation for 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine?
The canonical SMILES for 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine is CC(C)NC1CCS(=O)c2cc3c(cc21)OCCO3.
What is the InChIKey of 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine?
The InChIKey is GAGUWYXIHXLIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9(2)15-11-3-6-19(16)14-8-13-12(7-10(11)14)17-4-5-18-13/h7-9,11,15H,3-6H2,1-2H3.
What are the key properties of 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine?
6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine has a molecular weight of 281.38 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine is sourced from PubChem (CID 115478772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).