1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine

C12H18BrN3O2S — CID 63164439

IUPAC1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(Br)cc2N)C1
InChIInChI=1S/C12H18BrN3O2S/c1-15(2)10-5-6-16(8-10)19(17,18)12-4-3-9(13)7-11(12)14/h3-4,7,10H,5-6,8,14H2,1-2H3
InChIKeyMYVCBTPOGQJMGT-UHFFFAOYSA-N
MW348.27 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine

1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63164439) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
PubChem CID63164439
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(Br)cc2N)C1
InChIInChI=1S/C12H18BrN3O2S/c1-15(2)10-5-6-16(8-10)19(17,18)12-4-3-9(13)7-11(12)14/h3-4,7,10H,5-6,8,14H2,1-2H3
InChIKeyMYVCBTPOGQJMGT-UHFFFAOYSA-N
XLogP1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.36
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-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810
5-bromo-2-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 43372850
1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168219
5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43257108
1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol
CID 107212161
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-5-bromoaniline
CID 63150919
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 114625870
1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168088
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 116530450
5-bromo-2-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylaniline
CID 61116799
1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 106491455

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine (CID 63164439) is 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(S(=O)(=O)c2ccc(Br)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is MYVCBTPOGQJMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-15(2)10-5-6-16(8-10)19(17,18)12-4-3-9(13)7-11(12)14/h3-4,7,10H,5-6,8,14H2,1-2H3.
What are the key properties of 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine?
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 348.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63164439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).