2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine

C14H25BrN4S — CID 115380421

IUPAC2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(C(CN)c2sccc2Br)CC1
InChIInChI=1S/C14H25BrN4S/c1-17(2)4-5-18-6-8-19(9-7-18)13(11-16)14-12(15)3-10-20-14/h3,10,13H,4-9,11,16H2,1-2H3
InChIKeyBKCNFAOIHIDFMJ-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.69
Rot. Bonds6

About 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine

2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine (PubChem CID 115380421) has the molecular formula C14H25BrN4S and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
PubChem CID115380421
Molecular FormulaC14H25BrN4S
Molecular Weight361.35 g/mol
Exact Mass360.10
IUPAC Name2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(C(CN)c2sccc2Br)CC1
InChIInChI=1S/C14H25BrN4S/c1-17(2)4-5-18-6-8-19(9-7-18)13(11-16)14-12(15)3-10-20-14/h3,10,13H,4-9,11,16H2,1-2H3
InChIKeyBKCNFAOIHIDFMJ-UHFFFAOYSA-N
XLogP1.69
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine (CID 115380421) is 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine is CN(C)CCN1CCN(C(CN)c2sccc2Br)CC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine?
The InChIKey is BKCNFAOIHIDFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4S/c1-17(2)4-5-18-6-8-19(9-7-18)13(11-16)14-12(15)3-10-20-14/h3,10,13H,4-9,11,16H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine?
2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine has a molecular weight of 361.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 115380421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).