1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine

C13H18BrNO2S — CID 62922388

IUPAC1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C13H18BrNO2S/c1-13(2)7-9-15(10-8-13)18(16,17)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3
InChIKeyIYHZMYULAWSDFD-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine

1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine (PubChem CID 62922388) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
PubChem CID62922388
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C13H18BrNO2S/c1-13(2)7-9-15(10-8-13)18(16,17)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3
InChIKeyIYHZMYULAWSDFD-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 62929979
2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
CID 81245578
1-(2-bromo-4-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62924342
1-(2,4-dibromophenyl)sulfonyl-4,4-dimethylazepane
CID 65282364
4-bromo-3-(4,4-dimethylpiperidin-1-yl)sulfonylbenzoic acid
CID 62936223
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 54975760
4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3858856
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
3-bromo-4-(4,4-dimethylazepan-1-yl)sulfonylaniline
CID 65283466
[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963995

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine (CID 62922388) is 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine is CC1(C)CCN(S(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine?
The InChIKey is IYHZMYULAWSDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-13(2)7-9-15(10-8-13)18(16,17)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine?
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine has a molecular weight of 332.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine is sourced from PubChem (CID 62922388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).