1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine

C15H22BrNO2S — CID 62733884

IUPAC1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1
InChIInChI=1S/C15H22BrNO2S/c1-4-15(3)7-9-17(10-8-15)20(18,19)14-6-5-12(2)11-13(14)16/h5-6,11H,4,7-10H2,1-3H3
InChIKeyMXDOFSRVLAXLBO-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.96
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine

1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine (PubChem CID 62733884) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine
PubChem CID62733884
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1
InChIInChI=1S/C15H22BrNO2S/c1-4-15(3)7-9-17(10-8-15)20(18,19)14-6-5-12(2)11-13(14)16/h5-6,11H,4,7-10H2,1-3H3
InChIKeyMXDOFSRVLAXLBO-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62924342
ethyl 4-(2-bromo-4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 55565612
1-(2-ethyl-4-methylphenyl)sulfonylaziridine
CID 175060247
3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 63157152
2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylbenzenesulfonamide
CID 107165035
[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79179857
2-[4-(2-bromo-4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 52567580
1-(2,4-dibromophenyl)sulfonyl-4,4-dimethylazepane
CID 65282364
4-(2-bromo-4-methylphenyl)sulfonyl-1-methyl-1,4-diazepan-2-one
CID 102847434
2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 63162352
[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 63159552
4-(2-bromo-4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 52865112

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine (CID 62733884) is 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine is CCC1(C)CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine?
The InChIKey is MXDOFSRVLAXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-4-15(3)7-9-17(10-8-15)20(18,19)14-6-5-12(2)11-13(14)16/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine?
1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine has a molecular weight of 360.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine is sourced from PubChem (CID 62733884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).