2-butan-2-ylsulfanyl-3-methoxypropanehydrazide

C8H18N2O2S — CID 103229927

IUPAC2-butan-2-ylsulfanyl-3-methoxypropanehydrazide
SMILESCCC(C)SC(COC)C(=O)NN
InChIInChI=1S/C8H18N2O2S/c1-4-6(2)13-7(5-12-3)8(11)10-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyBWQLVZOCZHBDET-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.52
Rot. Bonds6

About 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide

2-butan-2-ylsulfanyl-3-methoxypropanehydrazide (PubChem CID 103229927) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-3-methoxypropanehydrazide
PubChem CID103229927
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-butan-2-ylsulfanyl-3-methoxypropanehydrazide
SMILESCCC(C)SC(COC)C(=O)NN
InChIInChI=1S/C8H18N2O2S/c1-4-6(2)13-7(5-12-3)8(11)10-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyBWQLVZOCZHBDET-UHFFFAOYSA-N
XLogP0.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide?
The IUPAC name of 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide (CID 103229927) is 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide.
What is the SMILES notation for 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide?
The canonical SMILES for 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide is CCC(C)SC(COC)C(=O)NN.
What is the InChIKey of 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide?
The InChIKey is BWQLVZOCZHBDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-4-6(2)13-7(5-12-3)8(11)10-9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide?
2-butan-2-ylsulfanyl-3-methoxypropanehydrazide has a molecular weight of 206.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-3-methoxypropanehydrazide is sourced from PubChem (CID 103229927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).