N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide

C10H15N3OS — CID 139670422

IUPACN-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide
SMILESCC(=O)NCCSc1cccc(NN)c1
InChIInChI=1S/C10H15N3OS/c1-8(14)12-5-6-15-10-4-2-3-9(7-10)13-11/h2-4,7,13H,5-6,11H2,1H3,(H,12,14)
InChIKeyRXUWJWONZVPZMU-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide

N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide (PubChem CID 139670422) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide
PubChem CID139670422
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide
SMILESCC(=O)NCCSc1cccc(NN)c1
InChIInChI=1S/C10H15N3OS/c1-8(14)12-5-6-15-10-4-2-3-9(7-10)13-11/h2-4,7,13H,5-6,11H2,1H3,(H,12,14)
InChIKeyRXUWJWONZVPZMU-UHFFFAOYSA-N
XLogP1.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide?
The IUPAC name of N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide (CID 139670422) is N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide is CC(=O)NCCSc1cccc(NN)c1.
What is the InChIKey of N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide?
The InChIKey is RXUWJWONZVPZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8(14)12-5-6-15-10-4-2-3-9(7-10)13-11/h2-4,7,13H,5-6,11H2,1H3,(H,12,14).
What are the key properties of N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide?
N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide has a molecular weight of 225.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 139670422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).