N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide

C8H16N2O3S — CID 66136121

IUPACN'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide
SMILESCC(=O)NNC(=O)CSC(C)CCO
InChIInChI=1S/C8H16N2O3S/c1-6(3-4-11)14-5-8(13)10-9-7(2)12/h6,11H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyVMQIUZKTYIVXFA-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.34
Rot. Bonds5

About N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide

N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide (PubChem CID 66136121) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide
PubChem CID66136121
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide
SMILESCC(=O)NNC(=O)CSC(C)CCO
InChIInChI=1S/C8H16N2O3S/c1-6(3-4-11)14-5-8(13)10-9-7(2)12/h6,11H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyVMQIUZKTYIVXFA-UHFFFAOYSA-N
XLogP-0.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide (CID 66136121) is N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide is CC(=O)NNC(=O)CSC(C)CCO.
What is the InChIKey of N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide?
The InChIKey is VMQIUZKTYIVXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(3-4-11)14-5-8(13)10-9-7(2)12/h6,11H,3-5H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide?
N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide has a molecular weight of 220.29 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(4-hydroxybutan-2-ylsulfanyl)acetohydrazide is sourced from PubChem (CID 66136121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).