2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine

C12H18BrNS2 — CID 80621687

IUPAC2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)cs1)C1CCCS1
InChIInChI=1S/C12H18BrNS2/c1-2-14-11(12-4-3-5-15-12)7-10-6-9(13)8-16-10/h6,8,11-12,14H,2-5,7H2,1H3
InChIKeyNCPPJOPFINEMFR-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.93
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine

2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine (PubChem CID 80621687) has the molecular formula C12H18BrNS2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
PubChem CID80621687
Molecular FormulaC12H18BrNS2
Molecular Weight320.32 g/mol
Exact Mass319.01
IUPAC Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)cs1)C1CCCS1
InChIInChI=1S/C12H18BrNS2/c1-2-14-11(12-4-3-5-15-12)7-10-6-9(13)8-16-10/h6,8,11-12,14H,2-5,7H2,1H3
InChIKeyNCPPJOPFINEMFR-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 113471301
2-(4-bromothiophen-2-yl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65389662
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627803
N-ethyl-1-(thian-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 80626497
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 79089609
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847651
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80622626

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine (CID 80621687) is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine is CCNC(Cc1cc(Br)cs1)C1CCCS1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine?
The InChIKey is NCPPJOPFINEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS2/c1-2-14-11(12-4-3-5-15-12)7-10-6-9(13)8-16-10/h6,8,11-12,14H,2-5,7H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine?
2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine has a molecular weight of 320.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80621687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).