1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C18H27BrN2O3S — CID 118308427

IUPAC1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C18H27BrN2O3S/c1-14-5-9-20(10-6-14)16-7-11-21(12-8-16)25(22,23)18-13-15(19)3-4-17(18)24-2/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyLPRJJEHFLWJNON-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.34
Rot. Bonds4

About 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 118308427) has the molecular formula C18H27BrN2O3S and a molecular weight of 431.40 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID118308427
Molecular FormulaC18H27BrN2O3S
Molecular Weight431.40 g/mol
Exact Mass430.09
IUPAC Name1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C18H27BrN2O3S/c1-14-5-9-20(10-6-14)16-7-11-21(12-8-16)25(22,23)18-13-15(19)3-4-17(18)24-2/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyLPRJJEHFLWJNON-UHFFFAOYSA-N
XLogP3.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
Tasin-1
CID 1329829
1-[1-[4-Bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308376
1'-((5-Bromo-2,3-dihydrobenzofuran-7-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308401
1-[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308412
5-bromo-2-ethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 991864
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperidine
CID 846306
1-[1-(3-Methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627962
3,7-Diazabicyclo(3.3.1)nonane, 3-((5-bromo-2-methoxyphenyl)sulfonyl)-7-butyl-9,9-dimethyl-
CID 3078259
Ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 3552944
1-(5-Bromo-2-methoxyphenyl)sulfonylazepane
CID 839335
5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
CID 2428075

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 118308427) is 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is COc1ccc(Br)cc1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1.
What is the InChIKey of 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is LPRJJEHFLWJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O3S/c1-14-5-9-20(10-6-14)16-7-11-21(12-8-16)25(22,23)18-13-15(19)3-4-17(18)24-2/h3-4,13-14,16H,5-12H2,1-2H3.
What are the key properties of 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 431.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 118308427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).