4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide

C11H16FN3OS — CID 63582597

IUPAC4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
SMILESCC(CCC(=O)NN)Sc1ccc(N)cc1F
InChIInChI=1S/C11H16FN3OS/c1-7(2-5-11(16)15-14)17-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5,13-14H2,1H3,(H,15,16)
InChIKeyBDGCGDSMOWVGDT-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.66
Rot. Bonds5

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

4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide (PubChem CID 63582597) has the molecular formula C11H16FN3OS and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
PubChem CID63582597
Molecular FormulaC11H16FN3OS
Molecular Weight257.33 g/mol
Exact Mass257.10
IUPAC Name4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
SMILESCC(CCC(=O)NN)Sc1ccc(N)cc1F
InChIInChI=1S/C11H16FN3OS/c1-7(2-5-11(16)15-14)17-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5,13-14H2,1H3,(H,15,16)
InChIKeyBDGCGDSMOWVGDT-UHFFFAOYSA-N
XLogP1.66
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.66
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

4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
CID 63590454
2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 43303746
4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 79141495
4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
4-(4-amino-2-chlorophenyl)sulfanylpentanoic acid
CID 62214157
4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
CID 79512196
4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide
CID 106679440
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43303759
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide?
The IUPAC name of 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide (CID 63582597) is 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide?
The canonical SMILES for 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide is CC(CCC(=O)NN)Sc1ccc(N)cc1F.
What is the InChIKey of 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide?
The InChIKey is BDGCGDSMOWVGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3OS/c1-7(2-5-11(16)15-14)17-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5,13-14H2,1H3,(H,15,16).
What are the key properties of 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide?
4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide has a molecular weight of 257.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 63582597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).