4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide

C12H19N3OS — CID 79141495

IUPAC4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
SMILESCc1c(N)cccc1SC(C)CCC(=O)NN
InChIInChI=1S/C12H19N3OS/c1-8(6-7-12(16)15-14)17-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7,13-14H2,1-2H3,(H,15,16)
InChIKeyFXXHDIQIPFYFQL-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.83
Rot. Bonds5

About 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide

4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide (PubChem CID 79141495) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
PubChem CID79141495
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
SMILESCc1c(N)cccc1SC(C)CCC(=O)NN
InChIInChI=1S/C12H19N3OS/c1-8(6-7-12(16)15-14)17-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7,13-14H2,1-2H3,(H,15,16)
InChIKeyFXXHDIQIPFYFQL-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-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
CID 63590454
2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 83048618
4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
CID 63582597
4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
CID 79512196
4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide
CID 106679440
2-(3-amino-2-methylphenyl)sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 79128909
4-(furan-2-ylmethylsulfanyl)pentanehydrazide
CID 63581757
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79128676
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
2-amino-3-(3-amino-2-methylphenyl)sulfanylpropanoic acid
CID 79143906

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide?
The IUPAC name of 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide (CID 79141495) is 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide?
The canonical SMILES for 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide is Cc1c(N)cccc1SC(C)CCC(=O)NN.
What is the InChIKey of 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide?
The InChIKey is FXXHDIQIPFYFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(6-7-12(16)15-14)17-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7,13-14H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide?
4-(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 4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 79141495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).