(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

C10H13BrN2OS — CID 82705475

IUPAC(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrN2OS/c1-7-6-12-4-5-13(7)10(14)8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3/t7-/m0/s1
InChIKeySFTLULNWSRZZKQ-ZETCQYMHSA-N
MW289.20 g/mol
LogP1.94
Rot. Bonds1

About (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 82705475) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID82705475
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrN2OS/c1-7-6-12-4-5-13(7)10(14)8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3/t7-/m0/s1
InChIKeySFTLULNWSRZZKQ-ZETCQYMHSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide
CID 122147631
(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704719
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 103866744
(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877365
(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473006
(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 127431518
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471425
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705631
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 82705475) is (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is C[C@H]1CNCCN1C(=O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is SFTLULNWSRZZKQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-7-6-12-4-5-13(7)10(14)8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3/t7-/m0/s1.
What are the key properties of (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 289.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82705475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).