5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide

C10H19N3O2S — CID 63571190

IUPAC5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCSCC2)O1
InChIInChI=1S/C10H19N3O2S/c11-12-10(14)9-2-1-8(15-9)7-13-3-5-16-6-4-13/h8-9H,1-7,11H2,(H,12,14)
InChIKeyDEMFBENDMXPXNI-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.43
Rot. Bonds3

About 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide

5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide (PubChem CID 63571190) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide
PubChem CID63571190
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCSCC2)O1
InChIInChI=1S/C10H19N3O2S/c11-12-10(14)9-2-1-8(15-9)7-13-3-5-16-6-4-13/h8-9H,1-7,11H2,(H,12,14)
InChIKeyDEMFBENDMXPXNI-UHFFFAOYSA-N
XLogP-0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide (CID 63571190) is 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide is NNC(=O)C1CCC(CN2CCSCC2)O1.
What is the InChIKey of 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide?
The InChIKey is DEMFBENDMXPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c11-12-10(14)9-2-1-8(15-9)7-13-3-5-16-6-4-13/h8-9H,1-7,11H2,(H,12,14).
What are the key properties of 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide?
5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide has a molecular weight of 245.35 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63571190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).