1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine

C11H15BrClNO2S2 — CID 79989386

IUPAC1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2CCl)sc1Br
InChIInChI=1S/C11H15BrClNO2S2/c1-8-6-10(17-11(8)12)18(15,16)14-5-3-2-4-9(14)7-13/h6,9H,2-5,7H2,1H3
InChIKeyBTHIPIASXYJEJL-UHFFFAOYSA-N
MW372.74 g/mol
LogP3.60
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine

1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine (PubChem CID 79989386) has the molecular formula C11H15BrClNO2S2 and a molecular weight of 372.74 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine
PubChem CID79989386
Molecular FormulaC11H15BrClNO2S2
Molecular Weight372.74 g/mol
Exact Mass370.94
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2CCl)sc1Br
InChIInChI=1S/C11H15BrClNO2S2/c1-8-6-10(17-11(8)12)18(15,16)14-5-3-2-4-9(14)7-13/h6,9H,2-5,7H2,1H3
InChIKeyBTHIPIASXYJEJL-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromoethyl)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80671382
[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988663
1-[5-(chloromethyl)-4-methylthiophen-2-yl]sulfonyl-2-ethylazepane
CID 104692838
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-2-carbonitrile
CID 79989340
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-(chloromethyl)pyrrolidine
CID 79988757
5-(2-ethylazepan-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104689156
3-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]propanoic acid
CID 80577299
2-(chloromethyl)-1-(2,4-dimethylphenyl)sulfonylazepane
CID 116639743
[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057755
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 80577652
3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine
CID 63397000
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine (CID 79989386) is 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine is Cc1cc(S(=O)(=O)N2CCCCC2CCl)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine?
The InChIKey is BTHIPIASXYJEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S2/c1-8-6-10(17-11(8)12)18(15,16)14-5-3-2-4-9(14)7-13/h6,9H,2-5,7H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine?
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine has a molecular weight of 372.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine is sourced from PubChem (CID 79989386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).