1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine

C9H14BrNS2 — CID 105166846

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1cscc1Br
InChIInChI=1S/C9H14BrNS2/c1-11-9(3-4-12-2)7-5-13-6-8(7)10/h5-6,9,11H,3-4H2,1-2H3
InChIKeyPLTZMCXNBVRUFJ-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine

1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 105166846) has the molecular formula C9H14BrNS2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID105166846
Molecular FormulaC9H14BrNS2
Molecular Weight280.26 g/mol
Exact Mass278.98
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1cscc1Br
InChIInChI=1S/C9H14BrNS2/c1-11-9(3-4-12-2)7-5-13-6-8(7)10/h5-6,9,11H,3-4H2,1-2H3
InChIKeyPLTZMCXNBVRUFJ-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
CID 79595314
N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
CID 105154090
1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79594998
1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79594994
1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141888
1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
CID 79596424
N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331155
1-(4-bromothiophen-3-yl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 79595107
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
1-(4-bromothiophen-3-yl)dodecan-1-ol
CID 115819993
1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105010764

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 105166846) is 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is PLTZMCXNBVRUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS2/c1-11-9(3-4-12-2)7-5-13-6-8(7)10/h5-6,9,11H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 280.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105166846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).