5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide

C9H17N3O4S — CID 63578676

IUPAC5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCCS2(=O)=O)O1
InChIInChI=1S/C9H17N3O4S/c10-11-9(13)8-3-2-7(16-8)6-12-4-1-5-17(12,14)15/h7-8H,1-6,10H2,(H,11,13)
InChIKeyHXYFPSTWVZZNMK-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.44
Rot. Bonds3

About 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide

5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 63578676) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide
PubChem CID63578676
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCCS2(=O)=O)O1
InChIInChI=1S/C9H17N3O4S/c10-11-9(13)8-3-2-7(16-8)6-12-4-1-5-17(12,14)15/h7-8H,1-6,10H2,(H,11,13)
InChIKeyHXYFPSTWVZZNMK-UHFFFAOYSA-N
XLogP-1.44
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.44
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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Related Compounds

5-[(1,1-dioxothiazinan-2-yl)methyl]oxolane-2-carboxylic acid
CID 116814491
5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55214840
5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55213682
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
CID 107226639
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carbohydrazide
CID 106839694
5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
CID 63584925
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
CID 63579176
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxolane-2-carbohydrazide
CID 79925472
5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63573722
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxolane-2-carbohydrazide
CID 64578509
5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63581177
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63795266

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide (CID 63578676) is 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(CN2CCCS2(=O)=O)O1.
What is the InChIKey of 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is HXYFPSTWVZZNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c10-11-9(13)8-3-2-7(16-8)6-12-4-1-5-17(12,14)15/h7-8H,1-6,10H2,(H,11,13).
What are the key properties of 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide?
5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 263.32 g/mol, XLogP of -1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63578676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).