8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

C11H14BrNOS — CID 61289313

IUPAC8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1c2cccc(Br)c2S(=O)CC1C
InChIInChI=1S/C11H14BrNOS/c1-7-6-15(14)11-8(10(7)13-2)4-3-5-9(11)12/h3-5,7,10,13H,6H2,1-2H3
InChIKeyOYWHKFHWNSQAAO-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.47
Rot. Bonds1

About 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61289313) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61289313
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1c2cccc(Br)c2S(=O)CC1C
InChIInChI=1S/C11H14BrNOS/c1-7-6-15(14)11-8(10(7)13-2)4-3-5-9(11)12/h3-5,7,10,13H,6H2,1-2H3
InChIKeyOYWHKFHWNSQAAO-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289511
9-bromo-N-cyclopropyl-1-oxo-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61289512
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112716447
2-(2-bromophenyl)sulfanyl-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420456
1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene
CID 99867115
7-bromo-N,1-dimethyl-2,3-dihydroindol-3-amine
CID 83758541
8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84635515
3-(2-bromophenyl)-7-methyl-1,4-thiazepane 1-oxide
CID 66227384
(3R)-5-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 156762888
8-bromo-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539404
9-bromo-N-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43539606

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (CID 61289313) is 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is CNC1c2cccc(Br)c2S(=O)CC1C.
What is the InChIKey of 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is OYWHKFHWNSQAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-7-6-15(14)11-8(10(7)13-2)4-3-5-9(11)12/h3-5,7,10,13H,6H2,1-2H3.
What are the key properties of 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 288.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,3-dimethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61289313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).