3-(4-aminophenyl)sulfanylpropanehydrazide

C9H13N3OS — CID 63580911

IUPAC3-(4-aminophenyl)sulfanylpropanehydrazide
SMILESNNC(=O)CCSc1ccc(N)cc1
InChIInChI=1S/C9H13N3OS/c10-7-1-3-8(4-2-7)14-6-5-9(13)12-11/h1-4H,5-6,10-11H2,(H,12,13)
InChIKeyCVVOENCCDXFEIB-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.74
Rot. Bonds4

About 3-(4-aminophenyl)sulfanylpropanehydrazide

3-(4-aminophenyl)sulfanylpropanehydrazide (PubChem CID 63580911) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(4-aminophenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name3-(4-aminophenyl)sulfanylpropanehydrazide
PubChem CID63580911
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name3-(4-aminophenyl)sulfanylpropanehydrazide
SMILESNNC(=O)CCSc1ccc(N)cc1
InChIInChI=1S/C9H13N3OS/c10-7-1-3-8(4-2-7)14-6-5-9(13)12-11/h1-4H,5-6,10-11H2,(H,12,13)
InChIKeyCVVOENCCDXFEIB-UHFFFAOYSA-N
XLogP0.74
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.74
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

3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 62324245
3-[(6-amino-3-pyridinyl)sulfanyl]propanehydrazide
CID 63590449
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
methyl 3-(4-aminophenyl)sulfanylpropanoate
CID 14790237
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
4-(4-aminophenyl)sulfanyl-N-methylbutanamide
CID 63890787
5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide
CID 79149650
methyl 7-(4-aminophenyl)sulfanylheptanoate
CID 118515669
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745
3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide
CID 18983747

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)sulfanylpropanehydrazide?
The IUPAC name of 3-(4-aminophenyl)sulfanylpropanehydrazide (CID 63580911) is 3-(4-aminophenyl)sulfanylpropanehydrazide.
What is the SMILES notation for 3-(4-aminophenyl)sulfanylpropanehydrazide?
The canonical SMILES for 3-(4-aminophenyl)sulfanylpropanehydrazide is NNC(=O)CCSc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)sulfanylpropanehydrazide?
The InChIKey is CVVOENCCDXFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-7-1-3-8(4-2-7)14-6-5-9(13)12-11/h1-4H,5-6,10-11H2,(H,12,13).
What are the key properties of 3-(4-aminophenyl)sulfanylpropanehydrazide?
3-(4-aminophenyl)sulfanylpropanehydrazide has a molecular weight of 211.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 63580911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).