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

C11H17N3O2S — CID 63569059

IUPAC2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
SMILESCc1oc(CN2CCSCC2)cc1C(=O)NN
InChIInChI=1S/C11H17N3O2S/c1-8-10(11(15)13-12)6-9(16-8)7-14-2-4-17-5-3-14/h6H,2-5,7,12H2,1H3,(H,13,15)
InChIKeyKXABBEDOFJZEMF-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.74
Rot. Bonds3

About 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide

2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide (PubChem CID 63569059) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
PubChem CID63569059
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
SMILESCc1oc(CN2CCSCC2)cc1C(=O)NN
InChIInChI=1S/C11H17N3O2S/c1-8-10(11(15)13-12)6-9(16-8)7-14-2-4-17-5-3-14/h6H,2-5,7,12H2,1H3,(H,13,15)
InChIKeyKXABBEDOFJZEMF-UHFFFAOYSA-N
XLogP0.74
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.74
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-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63577670
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273
2-[1-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl]piperidin-4-yl]acetamide
CID 63579170
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63573018
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
N-methyl-1-[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methanamine
CID 62418078
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide (CID 63569059) is 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide is Cc1oc(CN2CCSCC2)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide?
The InChIKey is KXABBEDOFJZEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-10(11(15)13-12)6-9(16-8)7-14-2-4-17-5-3-14/h6H,2-5,7,12H2,1H3,(H,13,15).
What are the key properties of 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide?
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide has a molecular weight of 255.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63569059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).