3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide

C11H16BrN3OS — CID 79405899

IUPAC3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
SMILESCC(Sc1ccc(Br)cc1N)C(C)C(=O)NN
InChIInChI=1S/C11H16BrN3OS/c1-6(11(16)15-14)7(2)17-10-4-3-8(12)5-9(10)13/h3-7H,13-14H2,1-2H3,(H,15,16)
InChIKeyMDDVZRKEOXIJOV-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.14
Rot. Bonds4

About 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide

3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide (PubChem CID 79405899) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
PubChem CID79405899
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
SMILESCC(Sc1ccc(Br)cc1N)C(C)C(=O)NN
InChIInChI=1S/C11H16BrN3OS/c1-6(11(16)15-14)7(2)17-10-4-3-8(12)5-9(10)13/h3-7H,13-14H2,1-2H3,(H,15,16)
InChIKeyMDDVZRKEOXIJOV-UHFFFAOYSA-N
XLogP2.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.14
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'}

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Related Compounds

2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
CID 63589381
4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
CID 63590454
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide
CID 79830633
2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide
CID 43306070
3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140
3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol
CID 66103687
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide
CID 79405255
methyl 3-(2-amino-4-bromophenyl)sulfanyl-2-methylpropanoate
CID 61318042
2-(2-amino-4-bromophenyl)sulfanyl-3-methoxypropanoic acid
CID 103224265
2-(3-bromophenyl)sulfanylpropanehydrazide
CID 63579968
3-[(2-amino-4-bromophenyl)sulfanylmethyl]benzohydrazide
CID 63589210
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide?
The IUPAC name of 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide (CID 79405899) is 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide.
What is the SMILES notation for 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide?
The canonical SMILES for 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide is CC(Sc1ccc(Br)cc1N)C(C)C(=O)NN.
What is the InChIKey of 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide?
The InChIKey is MDDVZRKEOXIJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-6(11(16)15-14)7(2)17-10-4-3-8(12)5-9(10)13/h3-7H,13-14H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide?
3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide has a molecular weight of 318.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide is sourced from PubChem (CID 79405899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).