2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide

C6H15N3OS — CID 15567906

IUPAC2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide
SMILESCN(C)CCSCC(=O)NN
InChIInChI=1S/C6H15N3OS/c1-9(2)3-4-11-5-6(10)8-7/h3-5,7H2,1-2H3,(H,8,10)
InChIKeyNREOBOPIRBVEKJ-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.73
Rot. Bonds5

About 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide

2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide (PubChem CID 15567906) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide
PubChem CID15567906
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide
SMILESCN(C)CCSCC(=O)NN
InChIInChI=1S/C6H15N3OS/c1-9(2)3-4-11-5-6(10)8-7/h3-5,7H2,1-2H3,(H,8,10)
InChIKeyNREOBOPIRBVEKJ-UHFFFAOYSA-N
XLogP-0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide (CID 15567906) is 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide is CN(C)CCSCC(=O)NN.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide?
The InChIKey is NREOBOPIRBVEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-9(2)3-4-11-5-6(10)8-7/h3-5,7H2,1-2H3,(H,8,10).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide?
2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide has a molecular weight of 177.27 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]acetohydrazide is sourced from PubChem (CID 15567906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).