N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine

C10H16BrNS2 — CID 115721712

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNS2/c1-7(6-13-3)12-8(2)9-4-5-10(11)14-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyBSYTZLLTVOXEOG-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115721712) has the molecular formula C10H16BrNS2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
PubChem CID115721712
Molecular FormulaC10H16BrNS2
Molecular Weight294.28 g/mol
Exact Mass292.99
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNS2/c1-7(6-13-3)12-8(2)9-4-5-10(11)14-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyBSYTZLLTVOXEOG-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
CID 63421410
(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 97051516
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047343
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 54898249
(1R)-1-(2-bromophenyl)-N-[1-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 81378370
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 63431288
1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 113261798
2-bromo-5-(1-bromo-3-methylbutyl)thiophene
CID 63444379

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine (CID 115721712) is N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NC(C)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is BSYTZLLTVOXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS2/c1-7(6-13-3)12-8(2)9-4-5-10(11)14-9/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 294.28 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115721712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).