3-ethylsulfanylbutanehydrazide

C6H14N2OS — CID 63582860

IUPAC3-ethylsulfanylbutanehydrazide
SMILESCCSC(C)CC(=O)NN
InChIInChI=1S/C6H14N2OS/c1-3-10-5(2)4-6(9)8-7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyBKNLKGOLJJGXJB-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.51
Rot. Bonds4

About 3-ethylsulfanylbutanehydrazide

3-ethylsulfanylbutanehydrazide (PubChem CID 63582860) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 3-ethylsulfanylbutanehydrazide.

Molecular Properties

Compound Name3-ethylsulfanylbutanehydrazide
PubChem CID63582860
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name3-ethylsulfanylbutanehydrazide
SMILESCCSC(C)CC(=O)NN
InChIInChI=1S/C6H14N2OS/c1-3-10-5(2)4-6(9)8-7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyBKNLKGOLJJGXJB-UHFFFAOYSA-N
XLogP0.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-propylsulfanylbutanehydrazide
CID 63582677
3-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66226073
methyl 3-(4-hydrazinyl-4-oxobutan-2-yl)sulfanylpropanoate
CID 63582149
3-phosphanylbutanehydrazide
CID 163485274
3-ethyl-4-oxopentanehydrazide
CID 160685877
3-phenylsulfanylbutanehydrazide
CID 63582257
3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
CID 87665575
3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
CID 63573949
3-[bis(2-methylpropyl)amino]butanehydrazide
CID 63583922
3-methylhexanedihydrazide
CID 141312622
(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
CID 140969773

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylbutanehydrazide?
The IUPAC name of 3-ethylsulfanylbutanehydrazide (CID 63582860) is 3-ethylsulfanylbutanehydrazide.
What is the SMILES notation for 3-ethylsulfanylbutanehydrazide?
The canonical SMILES for 3-ethylsulfanylbutanehydrazide is CCSC(C)CC(=O)NN.
What is the InChIKey of 3-ethylsulfanylbutanehydrazide?
The InChIKey is BKNLKGOLJJGXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-3-10-5(2)4-6(9)8-7/h5H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 3-ethylsulfanylbutanehydrazide?
3-ethylsulfanylbutanehydrazide has a molecular weight of 162.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylbutanehydrazide is sourced from PubChem (CID 63582860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).