5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide

C10H15N3O2S — CID 63569061

IUPAC5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2CCSCC2)c1
InChIInChI=1S/C10H15N3O2S/c11-12-10(14)8-5-9(15-7-8)6-13-1-3-16-4-2-13/h5,7H,1-4,6,11H2,(H,12,14)
InChIKeyUBNRTBVVLGERRR-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.43
Rot. Bonds3

About 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide

5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide (PubChem CID 63569061) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
PubChem CID63569061
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2CCSCC2)c1
InChIInChI=1S/C10H15N3O2S/c11-12-10(14)8-5-9(15-7-8)6-13-1-3-16-4-2-13/h5,7H,1-4,6,11H2,(H,12,14)
InChIKeyUBNRTBVVLGERRR-UHFFFAOYSA-N
XLogP0.43
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.43
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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Related Compounds

5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-3-carbohydrazide
CID 63584824
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63585207
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63568674
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63577370
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584588

Frequently Asked Questions

What is the IUPAC name of 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide (CID 63569061) is 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide is NNC(=O)c1coc(CN2CCSCC2)c1.
What is the InChIKey of 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide?
The InChIKey is UBNRTBVVLGERRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-12-10(14)8-5-9(15-7-8)6-13-1-3-16-4-2-13/h5,7H,1-4,6,11H2,(H,12,14).
What are the key properties of 5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide?
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide has a molecular weight of 241.32 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)furan-3-carbohydrazide is sourced from PubChem (CID 63569061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).