3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide

C11H16N2O2S2 — CID 63639069

IUPAC3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CSC1CCOCC1
InChIInChI=1S/C11H16N2O2S2/c12-13-11(14)10-8(3-6-16-10)7-17-9-1-4-15-5-2-9/h3,6,9H,1-2,4-5,7,12H2,(H,13,14)
InChIKeyMHYIPCKVSZWCSD-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.76
Rot. Bonds4

About 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide

3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 63639069) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID63639069
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CSC1CCOCC1
InChIInChI=1S/C11H16N2O2S2/c12-13-11(14)10-8(3-6-16-10)7-17-9-1-4-15-5-2-9/h3,6,9H,1-2,4-5,7,12H2,(H,13,14)
InChIKeyMHYIPCKVSZWCSD-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide (CID 63639069) is 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide is NNC(=O)c1sccc1CSC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is MHYIPCKVSZWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c12-13-11(14)10-8(3-6-16-10)7-17-9-1-4-15-5-2-9/h3,6,9H,1-2,4-5,7,12H2,(H,13,14).
What are the key properties of 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide?
3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 272.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63639069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).