(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone

C11H15BrN2OS — CID 103722220

IUPAC(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(Br)c2)CCN1
InChIInChI=1S/C11H15BrN2OS/c1-11(2)7-14(4-3-13-11)10(15)8-5-9(12)16-6-8/h5-6,13H,3-4,7H2,1-2H3
InChIKeyZPNJHRLUERLRIM-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.33
Rot. Bonds1

About (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone

(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 103722220) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID103722220
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(Br)c2)CCN1
InChIInChI=1S/C11H15BrN2OS/c1-11(2)7-14(4-3-13-11)10(15)8-5-9(12)16-6-8/h5-6,13H,3-4,7H2,1-2H3
InChIKeyZPNJHRLUERLRIM-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79506771
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
(3-bromo-5-fluorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79507160
(4-bromo-3-methylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 112706000
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
1-(5-bromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55178525
(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
(2-bromophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015131
(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 79014932

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone (CID 103722220) is (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)c2csc(Br)c2)CCN1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is ZPNJHRLUERLRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-11(2)7-14(4-3-13-11)10(15)8-5-9(12)16-6-8/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone?
(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 303.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 103722220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).