hydrazinyl 3-butan-2-ylsulfanylpropanoate

C7H16N2O2S — CID 66337707

IUPAChydrazinyl 3-butan-2-ylsulfanylpropanoate
SMILESCCC(C)SCCC(=O)ONN
InChIInChI=1S/C7H16N2O2S/c1-3-6(2)12-5-4-7(10)11-9-8/h6,9H,3-5,8H2,1-2H3
InChIKeyKFCWVLHCPCTMAA-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.83
Rot. Bonds6

About hydrazinyl 3-butan-2-ylsulfanylpropanoate

hydrazinyl 3-butan-2-ylsulfanylpropanoate (PubChem CID 66337707) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is hydrazinyl 3-butan-2-ylsulfanylpropanoate.

Molecular Properties

Compound Namehydrazinyl 3-butan-2-ylsulfanylpropanoate
PubChem CID66337707
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Namehydrazinyl 3-butan-2-ylsulfanylpropanoate
SMILESCCC(C)SCCC(=O)ONN
InChIInChI=1S/C7H16N2O2S/c1-3-6(2)12-5-4-7(10)11-9-8/h6,9H,3-5,8H2,1-2H3
InChIKeyKFCWVLHCPCTMAA-UHFFFAOYSA-N
XLogP0.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-ethylsulfanylpropanoate
CID 66337704
3-butan-2-ylsulfanylpropanoic acid
CID 560596
hydrazinyl 3-(3-aminobutylsulfanyl)propanoate
CID 66336784
hydrazinyl butanoate;hydrochloride
CID 87356625
methyl 3-(4-hydrazinyl-4-oxobutan-2-yl)sulfanylpropanoate
CID 63582149
hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate
CID 66339470
methyl 3-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylpropanoate
CID 63580664
hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
CID 66339650
ethyl 3-(difluoromethylsulfanyl)propanoate
CID 175669295
hydrazinyl 3-[2-hydroxyethyl(pentan-3-yl)amino]propanoate
CID 66338223
hydrazinyl 3-(2-ethoxyethoxy)propanoate
CID 66338748
4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
CID 63580821

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-butan-2-ylsulfanylpropanoate?
The IUPAC name of hydrazinyl 3-butan-2-ylsulfanylpropanoate (CID 66337707) is hydrazinyl 3-butan-2-ylsulfanylpropanoate.
What is the SMILES notation for hydrazinyl 3-butan-2-ylsulfanylpropanoate?
The canonical SMILES for hydrazinyl 3-butan-2-ylsulfanylpropanoate is CCC(C)SCCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-butan-2-ylsulfanylpropanoate?
The InChIKey is KFCWVLHCPCTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-3-6(2)12-5-4-7(10)11-9-8/h6,9H,3-5,8H2,1-2H3.
What are the key properties of hydrazinyl 3-butan-2-ylsulfanylpropanoate?
hydrazinyl 3-butan-2-ylsulfanylpropanoate has a molecular weight of 192.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-butan-2-ylsulfanylpropanoate is sourced from PubChem (CID 66337707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).