1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine

C12H18BrNOS2 — CID 103345943

IUPAC1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(c1occc1Br)C1CSC(C)C(C)S1
InChIInChI=1S/C12H18BrNOS2/c1-7-8(2)17-10(6-16-7)11(14-3)12-9(13)4-5-15-12/h4-5,7-8,10-11,14H,6H2,1-3H3
InChIKeyAHJHVXXQVSKSLG-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine

1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (PubChem CID 103345943) has the molecular formula C12H18BrNOS2 and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
PubChem CID103345943
Molecular FormulaC12H18BrNOS2
Molecular Weight336.32 g/mol
Exact Mass335.00
IUPAC Name1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(c1occc1Br)C1CSC(C)C(C)S1
InChIInChI=1S/C12H18BrNOS2/c1-7-8(2)17-10(6-16-7)11(14-3)12-9(13)4-5-15-12/h4-5,7-8,10-11,14H,6H2,1-3H3
InChIKeyAHJHVXXQVSKSLG-UHFFFAOYSA-N
XLogP3.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 103346029
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455
1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115861419
[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259746
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 103345907
1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105150702
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65393949
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 103346481
1-(4-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345735
1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345806
N-[(4-bromo-1-methylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346236

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (CID 103345943) is 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is CNC(c1occc1Br)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The InChIKey is AHJHVXXQVSKSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS2/c1-7-8(2)17-10(6-16-7)11(14-3)12-9(13)4-5-15-12/h4-5,7-8,10-11,14H,6H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine has a molecular weight of 336.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103345943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).