1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine

C9H13BrN2O2S2 — CID 84606448

IUPAC1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine
SMILESCC1CNCCN1S(=O)(=O)c1cc(Br)cs1
InChIInChI=1S/C9H13BrN2O2S2/c1-7-5-11-2-3-12(7)16(13,14)9-4-8(10)6-15-9/h4,6-7,11H,2-3,5H2,1H3
InChIKeyXVECSQCVAXBZPV-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.49
Rot. Bonds2

About 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine

1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine (PubChem CID 84606448) has the molecular formula C9H13BrN2O2S2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine
PubChem CID84606448
Molecular FormulaC9H13BrN2O2S2
Molecular Weight325.25 g/mol
Exact Mass323.96
IUPAC Name1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine
SMILESCC1CNCCN1S(=O)(=O)c1cc(Br)cs1
InChIInChI=1S/C9H13BrN2O2S2/c1-7-5-11-2-3-12(7)16(13,14)9-4-8(10)6-15-9/h4,6-7,11H,2-3,5H2,1H3
InChIKeyXVECSQCVAXBZPV-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide
CID 122565384
(2R)-2-methyl-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 120717017
1-(3-bromo-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 120708117
(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine
CID 82755884
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969646
(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717119
(2R)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine
CID 82745353
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 82756064
(2S)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-2-methylpiperazine
CID 82755670
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperazine
CID 62672617

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine?
The IUPAC name of 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine (CID 84606448) is 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine is CC1CNCCN1S(=O)(=O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine?
The InChIKey is XVECSQCVAXBZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S2/c1-7-5-11-2-3-12(7)16(13,14)9-4-8(10)6-15-9/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine?
1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine has a molecular weight of 325.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 84606448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).