2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide

C9H20N2O2S — CID 83047696

IUPAC2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide
SMILESCCCC(SC(C)CCO)C(=O)NN
InChIInChI=1S/C9H20N2O2S/c1-3-4-8(9(13)11-10)14-7(2)5-6-12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyWZPWFASLQBBXOL-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.65
Rot. Bonds7

About 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide

2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide (PubChem CID 83047696) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide
PubChem CID83047696
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide
SMILESCCCC(SC(C)CCO)C(=O)NN
InChIInChI=1S/C9H20N2O2S/c1-3-4-8(9(13)11-10)14-7(2)5-6-12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyWZPWFASLQBBXOL-UHFFFAOYSA-N
XLogP0.65
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
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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Related Compounds

4-hydroxy-2-methylbutanehydrazide;hydrochloride
CID 146268568
2-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761035
2-cyclopentylsulfanylpentanehydrazide
CID 83048342
2-methylpentanehydrazide
CID 43183484
2-butan-2-ylsulfanyl-3-methoxypropanehydrazide
CID 103229927
ethyl 2-butan-2-ylsulfanylpentanoate
CID 83038270
2-(3-aminobutylsulfanyl)butanehydrazide
CID 66234843
ethyl 2-(1-aminopropan-2-ylsulfanyl)pentanoate
CID 83038469
N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 65418371
2-(2-bromophenyl)sulfanylpentanehydrazide
CID 83047435
2-pentan-2-ylsulfanylbutanedioic acid
CID 88958866
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
CID 83048478

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide?
The IUPAC name of 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide (CID 83047696) is 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide?
The canonical SMILES for 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide is CCCC(SC(C)CCO)C(=O)NN.
What is the InChIKey of 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide?
The InChIKey is WZPWFASLQBBXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-4-8(9(13)11-10)14-7(2)5-6-12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide?
2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide has a molecular weight of 220.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide is sourced from PubChem (CID 83047696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).