1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine

C14H20BrNO3S — CID 62922390

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C14H20BrNO3S/c1-14(2)6-8-16(9-7-14)20(17,18)13-10-11(15)4-5-12(13)19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyVYDSYOBINRPGKN-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.27
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine

1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine (PubChem CID 62922390) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
PubChem CID62922390
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C14H20BrNO3S/c1-14(2)6-8-16(9-7-14)20(17,18)13-10-11(15)4-5-12(13)19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyVYDSYOBINRPGKN-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

1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145982
1-(5-bromo-2-methoxyphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979931
[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963757
1-(5-bromo-2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 16645322
2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718293
1-(2,4-dibromophenyl)sulfonyl-4,4-dimethylazepane
CID 65282364
(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
CID 51728032
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942
1-[1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977607
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871378

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine (CID 62922390) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine is COc1ccc(Br)cc1S(=O)(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine?
The InChIKey is VYDSYOBINRPGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-14(2)6-8-16(9-7-14)20(17,18)13-10-11(15)4-5-12(13)19-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine?
1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-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-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine is sourced from PubChem (CID 62922390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).