1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine

C13H18BrNO2S — CID 158822852

IUPAC1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine
SMILESCC1(C)CCCCN1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2S/c1-13(2)8-3-4-9-15(13)18(16,17)12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyIWBWSUXOUPLHIO-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.40
Rot. Bonds2

About 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine

1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine (PubChem CID 158822852) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine
PubChem CID158822852
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine
SMILESCC1(C)CCCCN1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2S/c1-13(2)8-3-4-9-15(13)18(16,17)12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyIWBWSUXOUPLHIO-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219211
1-(3-bromophenyl)sulfonyl-2,2-dimethylpyrrolidin-3-one
CID 115275100
1-(3-bromophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-one
CID 115275485
1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219170
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219127
1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
CID 115304834
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 63215909
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 115330070
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 112689420
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
1-(2-tert-butyl-4-methylphenyl)sulfonyl-2,2-dimethylpiperidine
CID 90164887

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine?
The IUPAC name of 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine (CID 158822852) is 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine.
What is the SMILES notation for 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine?
The canonical SMILES for 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine is CC1(C)CCCCN1S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine?
The InChIKey is IWBWSUXOUPLHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-13(2)8-3-4-9-15(13)18(16,17)12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine?
1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine has a molecular weight of 332.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine is sourced from PubChem (CID 158822852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).