2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine

C10H16BrN3O2S — CID 80675568

IUPAC2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine
SMILESCc1ncc(S(=O)(=O)N2CCCCC2CBr)[nH]1
InChIInChI=1S/C10H16BrN3O2S/c1-8-12-7-10(13-8)17(15,16)14-5-3-2-4-9(14)6-11/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyMTPCETCUJQVVQS-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.66
Rot. Bonds3

About 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine

2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine (PubChem CID 80675568) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine
PubChem CID80675568
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC Name2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine
SMILESCc1ncc(S(=O)(=O)N2CCCCC2CBr)[nH]1
InChIInChI=1S/C10H16BrN3O2S/c1-8-12-7-10(13-8)17(15,16)14-5-3-2-4-9(14)6-11/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyMTPCETCUJQVVQS-UHFFFAOYSA-N
XLogP1.66
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80676618
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine
CID 64560534
2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 79544387
[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazin-2-yl]methanamine
CID 113415485
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
2-(bromomethyl)-1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine
CID 81327929
1-(2-bromoethyl)-4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperazine
CID 80675816
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323
2-(bromomethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 80676501
5-[2-(bromomethyl)piperidin-1-yl]sulfonylisoquinoline
CID 80668661
2-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468408
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine
CID 131915928

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine?
The IUPAC name of 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine (CID 80675568) is 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine.
What is the SMILES notation for 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine?
The canonical SMILES for 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine is Cc1ncc(S(=O)(=O)N2CCCCC2CBr)[nH]1.
What is the InChIKey of 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine?
The InChIKey is MTPCETCUJQVVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-8-12-7-10(13-8)17(15,16)14-5-3-2-4-9(14)6-11/h7,9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine?
2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine has a molecular weight of 322.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidine is sourced from PubChem (CID 80675568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).