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

C10H16BrNS2 — CID 115895631

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNC(C)c1sccc1Br
InChIInChI=1S/C10H16BrNS2/c1-7(13-3)6-12-8(2)10-9(11)4-5-14-10/h4-5,7-8,12H,6H2,1-3H3
InChIKeyBJLTYDPVPVPKEB-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.91
Rot. Bonds5

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

N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115895631) has the molecular formula C10H16BrNS2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
PubChem CID115895631
Molecular FormulaC10H16BrNS2
Molecular Weight294.28 g/mol
Exact Mass292.99
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNC(C)c1sccc1Br
InChIInChI=1S/C10H16BrNS2/c1-7(13-3)6-12-8(2)10-9(11)4-5-14-10/h4-5,7-8,12H,6H2,1-3H3
InChIKeyBJLTYDPVPVPKEB-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

N-[1-(3-bromothiophen-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 60815874
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66092233
3-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 115717854
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43771631
N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891113
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444
1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43769411
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721977
1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 61012571
1-(3-bromothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55057431
1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol
CID 65108419

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine (CID 115895631) is N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNC(C)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is BJLTYDPVPVPKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS2/c1-7(13-3)6-12-8(2)10-9(11)4-5-14-10/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-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-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115895631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).