1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine

C12H17BrN2O3S — CID 120706073

IUPAC1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(N)C2)c(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-18-10-4-5-12(11(13)7-10)19(16,17)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKeyCNZBPSWGMSUIOS-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine

1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine (PubChem CID 120706073) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
PubChem CID120706073
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(N)C2)c(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-18-10-4-5-12(11(13)7-10)19(16,17)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKeyCNZBPSWGMSUIOS-UHFFFAOYSA-N
XLogP1.57
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine
CID 28540026
1-(2-bromo-4-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715241
(3R)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
CID 102977592
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-amine
CID 166174792
1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
CID 120706112
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
(3S)-1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993532
1-(2-methoxy-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120998796
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine (CID 120706073) is 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine is COc1ccc(S(=O)(=O)N2CCCC(N)C2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine?
The InChIKey is CNZBPSWGMSUIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-18-10-4-5-12(11(13)7-10)19(16,17)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine?
1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine has a molecular weight of 349.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 120706073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).