4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine

C12H20BrN3S — CID 115255664

IUPAC4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine
SMILESCC(CN(C)c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C12H20BrN3S/c1-10(16-5-3-14-4-6-16)8-15(2)12-7-11(13)9-17-12/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyNKQJPSOYRRJAQW-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.24
Rot. Bonds4

About 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine

4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine (PubChem CID 115255664) has the molecular formula C12H20BrN3S and a molecular weight of 318.28 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine
PubChem CID115255664
Molecular FormulaC12H20BrN3S
Molecular Weight318.28 g/mol
Exact Mass317.06
IUPAC Name4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine
SMILESCC(CN(C)c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C12H20BrN3S/c1-10(16-5-3-14-4-6-16)8-15(2)12-7-11(13)9-17-12/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyNKQJPSOYRRJAQW-UHFFFAOYSA-N
XLogP2.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
CID 115209892
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
1-[(1S)-1-(4-bromothiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171272791
4-bromo-N-ethyl-N-methylthiophen-2-amine
CID 115259321
1-amino-3-[(4-bromothiophen-2-yl)-methylamino]propan-2-ol
CID 115121258
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-dimethylpropyl]piperazine
CID 171272792
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255751
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131429782
1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine
CID 171303292
N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
CID 115255725
1-[(1S)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302329

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine (CID 115255664) is 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine is CC(CN(C)c1cc(Br)cs1)N1CCNCC1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine?
The InChIKey is NKQJPSOYRRJAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3S/c1-10(16-5-3-14-4-6-16)8-15(2)12-7-11(13)9-17-12/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine?
4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine has a molecular weight of 318.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine is sourced from PubChem (CID 115255664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).