2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine

C10H15BrN2S — CID 114749214

IUPAC2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine
SMILESCN(C)C1CCc2c(sc(Br)c2N)C1
InChIInChI=1S/C10H15BrN2S/c1-13(2)6-3-4-7-8(5-6)14-10(11)9(7)12/h6H,3-5,12H2,1-2H3
InChIKeyNSUITYCIQSIXOH-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.51
Rot. Bonds1

About 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine

2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine (PubChem CID 114749214) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine.

Molecular Properties

Compound Name2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine
PubChem CID114749214
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine
SMILESCN(C)C1CCc2c(sc(Br)c2N)C1
InChIInChI=1S/C10H15BrN2S/c1-13(2)6-3-4-7-8(5-6)14-10(11)9(7)12/h6H,3-5,12H2,1-2H3
InChIKeyNSUITYCIQSIXOH-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 161078362
(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 58289882
7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine
CID 11110033
7-(dimethylamino)-3-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 56860071
2-amino-N,N-dimethyl-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 64755868
5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol
CID 142213793
N-[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836484
2-bromo-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 114748348
N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine
CID 143888403
(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486481
8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891794
2-amino-N,N-diethyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43174833

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine?
The IUPAC name of 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine (CID 114749214) is 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine.
What is the SMILES notation for 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine?
The canonical SMILES for 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine is CN(C)C1CCc2c(sc(Br)c2N)C1.
What is the InChIKey of 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine?
The InChIKey is NSUITYCIQSIXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-13(2)6-3-4-7-8(5-6)14-10(11)9(7)12/h6H,3-5,12H2,1-2H3.
What are the key properties of 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine?
2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine has a molecular weight of 275.21 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine is sourced from PubChem (CID 114749214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).