1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

C13H20BrN3O2S — CID 60986320

IUPAC1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C13H20BrN3O2S/c1-16(2)11-5-7-17(8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyQCMZPONUVFADOH-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (PubChem CID 60986320) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
PubChem CID60986320
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C13H20BrN3O2S/c1-16(2)11-5-7-17(8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyQCMZPONUVFADOH-UHFFFAOYSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.75
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-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168219
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61220131
1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 106491455
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-4-bromoaniline
CID 60986322
4-bromo-2-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylaniline
CID 61114909
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810
4-bromo-2-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
CID 54888558
1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585650
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550
4-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonylaniline
CID 62886965

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (CID 60986320) is 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The InChIKey is QCMZPONUVFADOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-16(2)11-5-7-17(8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11H,5-8,15H2,1-2H3.
What are the key properties of 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine has a molecular weight of 362.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 60986320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).