2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide

C9H18N2O2S — CID 163881817

IUPAC2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide
SMILESCC(C)(SC1CCOCC1)C(=O)NN
InChIInChI=1S/C9H18N2O2S/c1-9(2,8(12)11-10)14-7-3-5-13-6-4-7/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyPTWZRXUYXWBRRA-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.67
Rot. Bonds3

About 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide

2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide (PubChem CID 163881817) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide
PubChem CID163881817
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide
SMILESCC(C)(SC1CCOCC1)C(=O)NN
InChIInChI=1S/C9H18N2O2S/c1-9(2,8(12)11-10)14-7-3-5-13-6-4-7/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyPTWZRXUYXWBRRA-UHFFFAOYSA-N
XLogP0.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.67
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 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide?
The IUPAC name of 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide (CID 163881817) is 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide?
The canonical SMILES for 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide is CC(C)(SC1CCOCC1)C(=O)NN.
What is the InChIKey of 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide?
The InChIKey is PTWZRXUYXWBRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-9(2,8(12)11-10)14-7-3-5-13-6-4-7/h7H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide?
2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide has a molecular weight of 218.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide is sourced from PubChem (CID 163881817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).