1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C13H20BrN3O3S — CID 66057372

IUPAC1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C13H20BrN3O3S/c1-16(2)7-9-5-10(18)8-17(9)21(19,20)11-3-4-13(15)12(14)6-11/h3-4,6,9-10,18H,5,7-8,15H2,1-2H3
InChIKeyURMXFZXOQLOIER-UHFFFAOYSA-N
MW378.29 g/mol
LogP0.72
Rot. Bonds4

About 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66057372) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66057372
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C13H20BrN3O3S/c1-16(2)7-9-5-10(18)8-17(9)21(19,20)11-3-4-13(15)12(14)6-11/h3-4,6,9-10,18H,5,7-8,15H2,1-2H3
InChIKeyURMXFZXOQLOIER-UHFFFAOYSA-N
XLogP0.72
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052371
1-(5-amino-2-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056778
1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053365
5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 66053371
1-[3-(aminomethyl)phenyl]sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056012
1-(2-amino-4-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056980
1-(4-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056572
1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051432
1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055590
1-(5-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055391
1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056977
5-[(dimethylamino)methyl]-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66051820

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66057372) is 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is URMXFZXOQLOIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-16(2)7-9-5-10(18)8-17(9)21(19,20)11-3-4-13(15)12(14)6-11/h3-4,6,9-10,18H,5,7-8,15H2,1-2H3.
What are the key properties of 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 378.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66057372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).