(10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine

C11H12BrNO2S — CID 82888913

IUPAC(10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine
SMILESN[C@@H]1CSCc2c(Br)cc3c(c21)OCCO3
InChIInChI=1S/C11H12BrNO2S/c12-7-3-9-11(15-2-1-14-9)10-6(7)4-16-5-8(10)13/h3,8H,1-2,4-5,13H2/t8-/m1/s1
InChIKeyLOWCEPWDLKNAET-MRVPVSSYSA-N
MW302.19 g/mol
LogP2.47
Rot. Bonds

About (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine

(10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine (PubChem CID 82888913) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine.

Molecular Properties

Compound Name(10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine
PubChem CID82888913
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name(10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine
SMILESN[C@@H]1CSCc2c(Br)cc3c(c21)OCCO3
InChIInChI=1S/C11H12BrNO2S/c12-7-3-9-11(15-2-1-14-9)10-6(7)4-16-5-8(10)13/h3,8H,1-2,4-5,13H2/t8-/m1/s1
InChIKeyLOWCEPWDLKNAET-MRVPVSSYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine with MolForge

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Related Compounds

(11S)-6-bromo-2,3,7,9,10,11-hexahydrothiepino[3,4-h][1,4]benzodioxin-11-amine
CID 82890067
(11R)-6-bromo-9-methyl-2,3,7,9,10,11-hexahydrothiepino[3,4-h][1,4]benzodioxin-11-amine
CID 82889830
6-bromo-N-ethyl-10-methyl-2,3,7,9,10,11-hexahydrothiepino[3,4-h][1,4]benzodioxin-11-amine
CID 82888976
(4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887038
6-bromo-N-ethyl-9-propan-2-yl-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine
CID 105356839
(4S)-5-bromo-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 82885959
10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
CID 55223662
6-bromo-3,7,8,9-tetrahydro-2H-benzo[h][1,4]benzodioxin-10-one
CID 62730597
5-bromo-7-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
CID 43143965
(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol
CID 115417852
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
CID 43143868
(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 72942879

Frequently Asked Questions

What is the IUPAC name of (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine?
The IUPAC name of (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine (CID 82888913) is (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine.
What is the SMILES notation for (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine?
The canonical SMILES for (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine is N[C@@H]1CSCc2c(Br)cc3c(c21)OCCO3.
What is the InChIKey of (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine?
The InChIKey is LOWCEPWDLKNAET-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12BrNO2S/c12-7-3-9-11(15-2-1-14-9)10-6(7)4-16-5-8(10)13/h3,8H,1-2,4-5,13H2/t8-/m1/s1.
What are the key properties of (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine?
(10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine has a molecular weight of 302.19 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-6-bromo-3,7,9,10-tetrahydro-2H-thiopyrano[3,4-h][1,4]benzodioxin-10-amine is sourced from PubChem (CID 82888913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).