N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine

C11H17Cl2NS2 — CID 115721968

IUPACN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H17Cl2NS2/c1-7(4-5-15-3)14-8(2)9-6-10(12)16-11(9)13/h6-8,14H,4-5H2,1-3H3
InChIKeyJVNSOGKPHAHBPU-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.85
Rot. Bonds6

About N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine (PubChem CID 115721968) has the molecular formula C11H17Cl2NS2 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine
PubChem CID115721968
Molecular FormulaC11H17Cl2NS2
Molecular Weight298.30 g/mol
Exact Mass297.02
IUPAC NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H17Cl2NS2/c1-7(4-5-15-3)14-8(2)9-6-10(12)16-11(9)13/h6-8,14H,4-5H2,1-3H3
InChIKeyJVNSOGKPHAHBPU-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716103
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
2-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-4-methylpentanoic acid
CID 114082706
4-fluoro-2-[1-(4-methylsulfanylbutan-2-ylamino)ethyl]phenol
CID 113429362
N-[1-(3-methylphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115663825
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721915
4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
CID 115722040
1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613567
1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 113261082
2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
CID 115894315

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine (CID 115721968) is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine is CSCCC(C)NC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is JVNSOGKPHAHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2NS2/c1-7(4-5-15-3)14-8(2)9-6-10(12)16-11(9)13/h6-8,14H,4-5H2,1-3H3.
What are the key properties of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine?
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 298.30 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115721968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).