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

C15H21NO3S — CID 115478782

IUPAC7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
SMILESCCCNC1CC(C)S(=O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H21NO3S/c1-3-4-16-12-7-10(2)20(17)15-9-14-13(8-11(12)15)18-5-6-19-14/h8-10,12,16H,3-7H2,1-2H3
InChIKeyPTOXGNAVQVPSKD-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.40
Rot. Bonds3

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

7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine (PubChem CID 115478782) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine.

Molecular Properties

Compound Name7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
PubChem CID115478782
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
SMILESCCCNC1CC(C)S(=O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H21NO3S/c1-3-4-16-12-7-10(2)20(17)15-9-14-13(8-11(12)15)18-5-6-19-14/h8-10,12,16H,3-7H2,1-2H3
InChIKeyPTOXGNAVQVPSKD-UHFFFAOYSA-N
XLogP2.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 63821748
6,8-difluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287922
N-ethyl-6-oxo-2,3,7,8,9,10-hexahydrothiepino[2,3-g][1,4]benzodioxin-10-amine
CID 115478780
8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289304
8,9-dimethyl-N-propyl-2,3,4,7,8,9-hexahydrocyclopenta[h][1,5]benzodioxepin-7-amine
CID 79726877
3,10-dimethyl-N-propyl-3,4,7,8,9,10-hexahydro-2H-benzo[h][1,5]benzodioxepin-7-amine
CID 115417710
1-oxo-N-propyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine
CID 114992840
N-methyl-6-oxo-2,3,7,8,9,10-hexahydrothiepino[2,3-g][1,4]benzodioxin-10-amine
CID 115478789
6-oxo-N-propan-2-yl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
CID 115478772
N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62549764
6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79414565
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine?
The IUPAC name of 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine (CID 115478782) is 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine.
What is the SMILES notation for 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine?
The canonical SMILES for 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine is CCCNC1CC(C)S(=O)c2cc3c(cc21)OCCO3.
What is the InChIKey of 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine?
The InChIKey is PTOXGNAVQVPSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-4-16-12-7-10(2)20(17)15-9-14-13(8-11(12)15)18-5-6-19-14/h8-10,12,16H,3-7H2,1-2H3.
What are the key properties of 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine?
7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine has a molecular weight of 295.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine is sourced from PubChem (CID 115478782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).