5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide

C8H17N3O2S — CID 63582219

IUPAC5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESNCCSCC1CCC(C(=O)NN)O1
InChIInChI=1S/C8H17N3O2S/c9-3-4-14-5-6-1-2-7(13-6)8(12)11-10/h6-7H,1-5,9-10H2,(H,11,12)
InChIKeyJLKOLBOHTVNXQM-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.78
Rot. Bonds5

About 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide

5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide (PubChem CID 63582219) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide
PubChem CID63582219
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESNCCSCC1CCC(C(=O)NN)O1
InChIInChI=1S/C8H17N3O2S/c9-3-4-14-5-6-1-2-7(13-6)8(12)11-10/h6-7H,1-5,9-10H2,(H,11,12)
InChIKeyJLKOLBOHTVNXQM-UHFFFAOYSA-N
XLogP-0.78
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide (CID 63582219) is 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide is NCCSCC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide?
The InChIKey is JLKOLBOHTVNXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c9-3-4-14-5-6-1-2-7(13-6)8(12)11-10/h6-7H,1-5,9-10H2,(H,11,12).
What are the key properties of 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide?
5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide has a molecular weight of 219.31 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylsulfanylmethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63582219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).