N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide

C13H19N3O4S — CID 81209025

IUPACN'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide
SMILESCC1COC(CO)CN1CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H19N3O4S/c1-9-8-20-10(7-17)5-16(9)6-12(18)14-15-13(19)11-3-2-4-21-11/h2-4,9-10,17H,5-8H2,1H3,(H,14,18)(H,15,19)
InChIKeyYPQPKVMEFGVMEQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.41
Rot. Bonds4

About N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide

N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide (PubChem CID 81209025) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide
PubChem CID81209025
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide
SMILESCC1COC(CO)CN1CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H19N3O4S/c1-9-8-20-10(7-17)5-16(9)6-12(18)14-15-13(19)11-3-2-4-21-11/h2-4,9-10,17H,5-8H2,1H3,(H,14,18)(H,15,19)
InChIKeyYPQPKVMEFGVMEQ-UHFFFAOYSA-N
XLogP-0.41
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
CID 82756313
N-(2,3-dimethylphenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81212627
N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 103577312
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(4-hydroxyphenyl)ethanone
CID 81204106
N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 81197605
2-[1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]azetidin-3-yl]propanoic acid
CID 116683976
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 81204408
N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide
CID 115314251
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide (CID 81209025) is N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide is CC1COC(CO)CN1CC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide?
The InChIKey is YPQPKVMEFGVMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-8-20-10(7-17)5-16(9)6-12(18)14-15-13(19)11-3-2-4-21-11/h2-4,9-10,17H,5-8H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide?
N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide has a molecular weight of 313.38 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 81209025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).