4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide

C11H16BrN3OS — CID 63590454

IUPAC4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
SMILESCC(CCC(=O)NN)Sc1ccc(Br)cc1N
InChIInChI=1S/C11H16BrN3OS/c1-7(2-5-11(16)15-14)17-10-4-3-8(12)6-9(10)13/h3-4,6-7H,2,5,13-14H2,1H3,(H,15,16)
InChIKeyCXPWAACSXFWUEP-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.28
Rot. Bonds5

About 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide

4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide (PubChem CID 63590454) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
PubChem CID63590454
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
SMILESCC(CCC(=O)NN)Sc1ccc(Br)cc1N
InChIInChI=1S/C11H16BrN3OS/c1-7(2-5-11(16)15-14)17-10-4-3-8(12)6-9(10)13/h3-4,6-7H,2,5,13-14H2,1H3,(H,15,16)
InChIKeyCXPWAACSXFWUEP-UHFFFAOYSA-N
XLogP2.28
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide 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

3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol
CID 66103687
3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405899
4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
CID 63582597
2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
CID 63589381
4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 79141495
4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
CID 79512196
4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
4-(2-amino-4-chlorophenyl)sulfanylpentanoic acid
CID 62213803
2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide
CID 43306070
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide
CID 106679440
methyl 3-(2-amino-4-bromophenyl)sulfanyl-2-methylpropanoate
CID 61318042

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide?
The IUPAC name of 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide (CID 63590454) is 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide?
The canonical SMILES for 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide is CC(CCC(=O)NN)Sc1ccc(Br)cc1N.
What is the InChIKey of 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide?
The InChIKey is CXPWAACSXFWUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-7(2-5-11(16)15-14)17-10-4-3-8(12)6-9(10)13/h3-4,6-7H,2,5,13-14H2,1H3,(H,15,16).
What are the key properties of 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide?
4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide has a molecular weight of 318.24 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 63590454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).