(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine

C10H15BrN2S — CID 82705689

IUPAC(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2S/c1-8-5-12-2-3-13(8)6-10-4-9(11)7-14-10/h4,7-8,12H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyGQMUKFRQCSLLDL-QMMMGPOBSA-N
MW275.21 g/mol
LogP2.30
Rot. Bonds2

About (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine

(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine (PubChem CID 82705689) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
PubChem CID82705689
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2S/c1-8-5-12-2-3-13(8)6-10-4-9(11)7-14-10/h4,7-8,12H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyGQMUKFRQCSLLDL-QMMMGPOBSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine (CID 82705689) is (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine is C[C@H]1CNCCN1Cc1cc(Br)cs1.
What is the InChIKey of (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine?
The InChIKey is GQMUKFRQCSLLDL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-8-5-12-2-3-13(8)6-10-4-9(11)7-14-10/h4,7-8,12H,2-3,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine?
(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine has a molecular weight of 275.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82705689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).