5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide

C10H20N2O2S — CID 63581000

IUPAC5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCCC(C)SCC1CCC(C(=O)NN)O1
InChIInChI=1S/C10H20N2O2S/c1-3-7(2)15-6-8-4-5-9(14-8)10(13)12-11/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyFFMPBLSMASRIPS-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.06
Rot. Bonds5

About 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide

5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide (PubChem CID 63581000) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
PubChem CID63581000
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCCC(C)SCC1CCC(C(=O)NN)O1
InChIInChI=1S/C10H20N2O2S/c1-3-7(2)15-6-8-4-5-9(14-8)10(13)12-11/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyFFMPBLSMASRIPS-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide (CID 63581000) is 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide is CCC(C)SCC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The InChIKey is FFMPBLSMASRIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-7(2)15-6-8-4-5-9(14-8)10(13)12-11/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide has a molecular weight of 232.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63581000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).