1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine

C14H20BrNO3S — CID 62330241

IUPAC1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2C)cc1Br
InChIInChI=1S/C14H20BrNO3S/c1-10-6-7-16(11(2)8-10)20(17,18)12-4-5-14(19-3)13(15)9-12/h4-5,9-11H,6-8H2,1-3H3
InChIKeyWPYVIINQYKHQNE-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.27
Rot. Bonds3

About 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine

1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine (PubChem CID 62330241) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine
PubChem CID62330241
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2C)cc1Br
InChIInChI=1S/C14H20BrNO3S/c1-10-6-7-16(11(2)8-10)20(17,18)12-4-5-14(19-3)13(15)9-12/h4-5,9-11H,6-8H2,1-3H3
InChIKeyWPYVIINQYKHQNE-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63362640
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
CID 61060166
1-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83218669
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine
CID 7574290
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62332456
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
1-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991298
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 23961657

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine (CID 62330241) is 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine is COc1ccc(S(=O)(=O)N2CCC(C)CC2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine?
The InChIKey is WPYVIINQYKHQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-10-6-7-16(11(2)8-10)20(17,18)12-4-5-14(19-3)13(15)9-12/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine?
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine has a molecular weight of 362.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine is sourced from PubChem (CID 62330241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).