2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide

C12H19N3OS — CID 83048618

IUPAC2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
SMILESCCCC(Sc1cccc(N)c1C)C(=O)NN
InChIInChI=1S/C12H19N3OS/c1-3-5-11(12(16)15-14)17-10-7-4-6-9(13)8(10)2/h4,6-7,11H,3,5,13-14H2,1-2H3,(H,15,16)
InChIKeyYNOYUKBSOUHIPL-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.83
Rot. Bonds5

About 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide

2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide (PubChem CID 83048618) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
PubChem CID83048618
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
SMILESCCCC(Sc1cccc(N)c1C)C(=O)NN
InChIInChI=1S/C12H19N3OS/c1-3-5-11(12(16)15-14)17-10-7-4-6-9(13)8(10)2/h4,6-7,11H,3,5,13-14H2,1-2H3,(H,15,16)
InChIKeyYNOYUKBSOUHIPL-UHFFFAOYSA-N
XLogP1.83
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.83
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-bromophenyl)sulfanylpentanehydrazide
CID 83047435
4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 79141495
2-(5-amino-2-chlorophenyl)sulfanylpentanehydrazide
CID 83048344
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
ethyl 2-(2-methylphenyl)sulfanylpentanoate
CID 79004796
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
CID 83048478
2-[(3-amino-2-pyridinyl)sulfanyl]butanehydrazide
CID 63590814
2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
CID 63589381
2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide
CID 63581272
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanehydrazide
CID 83048615
2-amino-3-(3-amino-2-methylphenyl)sulfanylpropanoic acid
CID 79143906

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide (CID 83048618) is 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide is CCCC(Sc1cccc(N)c1C)C(=O)NN.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide?
The InChIKey is YNOYUKBSOUHIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-5-11(12(16)15-14)17-10-7-4-6-9(13)8(10)2/h4,6-7,11H,3,5,13-14H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide?
2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide has a molecular weight of 253.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 83048618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).