N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine

C11H18BrNS2 — CID 115721977

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NC(C)c1sccc1Br
InChIInChI=1S/C11H18BrNS2/c1-8(4-6-14-3)13-9(2)11-10(12)5-7-15-11/h5,7-9,13H,4,6H2,1-3H3
InChIKeyBGKSKBQKTICVDZ-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.30
Rot. Bonds6

About N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine (PubChem CID 115721977) has the molecular formula C11H18BrNS2 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
PubChem CID115721977
Molecular FormulaC11H18BrNS2
Molecular Weight308.31 g/mol
Exact Mass307.01
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NC(C)c1sccc1Br
InChIInChI=1S/C11H18BrNS2/c1-8(4-6-14-3)13-9(2)11-10(12)5-7-15-11/h5,7-9,13H,4,6H2,1-3H3
InChIKeyBGKSKBQKTICVDZ-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895631
4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
CID 115722040
N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779525
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637
ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
CID 61498304
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721995
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylaniline
CID 43759216

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine (CID 115721977) is N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine is CSCCC(C)NC(C)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is BGKSKBQKTICVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS2/c1-8(4-6-14-3)13-9(2)11-10(12)5-7-15-11/h5,7-9,13H,4,6H2,1-3H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 308.31 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115721977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).