1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride

C11H18BrClN2O2S2 — CID 120725578

IUPAC1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C11H17BrN2O2S2.ClH/c1-7-8(2)14(5-4-13-7)18(15,16)10-6-11(12)17-9(10)3;/h6-8,13H,4-5H2,1-3H3;1H
InChIKeyHLHKUALXCSWMCB-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.61
Rot. Bonds2

About 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride

1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride (PubChem CID 120725578) has the molecular formula C11H18BrClN2O2S2 and a molecular weight of 389.77 g/mol. Its IUPAC name is 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
PubChem CID120725578
Molecular FormulaC11H18BrClN2O2S2
Molecular Weight389.77 g/mol
Exact Mass387.97
IUPAC Name1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C11H17BrN2O2S2.ClH/c1-7-8(2)14(5-4-13-7)18(15,16)10-6-11(12)17-9(10)3;/h6-8,13H,4-5H2,1-3H3;1H
InChIKeyHLHKUALXCSWMCB-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725861
2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725803
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963191
1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725989
1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725401
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2-(chloromethyl)-3-methylpyrrolidine
CID 102788496
1-(4-bromo-5-fluoro-2-methoxyphenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120726122
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride (CID 120725578) is 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride is Cc1sc(Br)cc1S(=O)(=O)N1CCNC(C)C1C.Cl.
What is the InChIKey of 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The InChIKey is HLHKUALXCSWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2.ClH/c1-7-8(2)14(5-4-13-7)18(15,16)10-6-11(12)17-9(10)3;/h6-8,13H,4-5H2,1-3H3;1H.
What are the key properties of 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride has a molecular weight of 389.77 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120725578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).