1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine

C14H22BrN3O2S — CID 114625870

IUPAC1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C14H22BrN3O2S/c1-10-7-12(15)13(16)8-14(10)21(19,20)18-6-4-5-11(9-18)17(2)3/h7-8,11H,4-6,9,16H2,1-3H3
InChIKeyRQYRPGWCXOELCC-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.05
Rot. Bonds3

About 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine

1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine (PubChem CID 114625870) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
PubChem CID114625870
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C14H22BrN3O2S/c1-10-7-12(15)13(16)8-14(10)21(19,20)18-6-4-5-11(9-18)17(2)3/h7-8,11H,4-6,9,16H2,1-3H3
InChIKeyRQYRPGWCXOELCC-UHFFFAOYSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 116530450
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
2-[1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211984
(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212055
2-bromo-5-(3,4-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
CID 114626275
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2-bromo-4-methylaniline
CID 114625833
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 63900099
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
2-bromo-4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 114625488

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine (CID 114625870) is 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine is Cc1cc(Br)c(N)cc1S(=O)(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The InChIKey is RQYRPGWCXOELCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-10-7-12(15)13(16)8-14(10)21(19,20)18-6-4-5-11(9-18)17(2)3/h7-8,11H,4-6,9,16H2,1-3H3.
What are the key properties of 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine has a molecular weight of 376.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 114625870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).