N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide

C6H15N3OS — CID 146385212

IUPACN-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide
SMILESCCNC(=O)C(CNN)SC
InChIInChI=1S/C6H15N3OS/c1-3-8-6(10)5(11-2)4-9-7/h5,9H,3-4,7H2,1-2H3,(H,8,10)
InChIKeyGEJODPYIWKVULM-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.68
Rot. Bonds5

About N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide

N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide (PubChem CID 146385212) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide
PubChem CID146385212
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC NameN-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide
SMILESCCNC(=O)C(CNN)SC
InChIInChI=1S/C6H15N3OS/c1-3-8-6(10)5(11-2)4-9-7/h5,9H,3-4,7H2,1-2H3,(H,8,10)
InChIKeyGEJODPYIWKVULM-UHFFFAOYSA-N
XLogP-0.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide?
The IUPAC name of N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide (CID 146385212) is N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide.
What is the SMILES notation for N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide?
The canonical SMILES for N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide is CCNC(=O)C(CNN)SC.
What is the InChIKey of N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide?
The InChIKey is GEJODPYIWKVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-3-8-6(10)5(11-2)4-9-7/h5,9H,3-4,7H2,1-2H3,(H,8,10).
What are the key properties of N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide?
N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide has a molecular weight of 177.27 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydrazinyl-2-methylsulfanylpropanamide is sourced from PubChem (CID 146385212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).