5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide

C10H20N2O2S — CID 63581177

IUPAC5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCC(C)(C)SCC1CCC(C(=O)NN)O1
InChIInChI=1S/C10H20N2O2S/c1-10(2,3)15-6-7-4-5-8(14-7)9(13)12-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyYNWKHXWUWQTAHF-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.06
Rot. Bonds3

About 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide

5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide (PubChem CID 63581177) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
PubChem CID63581177
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCC(C)(C)SCC1CCC(C(=O)NN)O1
InChIInChI=1S/C10H20N2O2S/c1-10(2,3)15-6-7-4-5-8(14-7)9(13)12-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyYNWKHXWUWQTAHF-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.06
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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Related Compounds

2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide
CID 114234623
5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63578014
5-[(4-aminophenyl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63591696
5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 115383809
5-[(3-methylphenyl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63580547
5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578397
5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63581238
5-[(3,4-difluorophenyl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63582880
5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
CID 55212904
5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
CID 55227615
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carbohydrazide
CID 63571905
5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63589022

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide (CID 63581177) is 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide is CC(C)(C)SCC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide?
The InChIKey is YNWKHXWUWQTAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(2,3)15-6-7-4-5-8(14-7)9(13)12-11/h7-8H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide?
5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide has a molecular weight of 232.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63581177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).