N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide

C14H20N4O2S — CID 115314251

IUPACN'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(CN1CCC2CCC(C1)N2)NNC(=O)c1cccs1
InChIInChI=1S/C14H20N4O2S/c19-13(16-17-14(20)12-2-1-7-21-12)9-18-6-5-10-3-4-11(8-18)15-10/h1-2,7,10-11,15H,3-6,8-9H2,(H,16,19)(H,17,20)
InChIKeyWVMNRVUMXMLJBN-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.34
Rot. Bonds3

About N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide

N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide (PubChem CID 115314251) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide
PubChem CID115314251
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(CN1CCC2CCC(C1)N2)NNC(=O)c1cccs1
InChIInChI=1S/C14H20N4O2S/c19-13(16-17-14(20)12-2-1-7-21-12)9-18-6-5-10-3-4-11(8-18)15-10/h1-2,7,10-11,15H,3-6,8-9H2,(H,16,19)(H,17,20)
InChIKeyWVMNRVUMXMLJBN-UHFFFAOYSA-N
XLogP0.34
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 103577312
2-[1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]azetidin-3-yl]propanoic acid
CID 116683976
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 81495475
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
N-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]thiophene-2-carboxamide
CID 119636218
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]-1-methylpyrrole-2-carboxamide
CID 115314363
N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
CID 82756313
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide (CID 115314251) is N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide is O=C(CN1CCC2CCC(C1)N2)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is WVMNRVUMXMLJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13(16-17-14(20)12-2-1-7-21-12)9-18-6-5-10-3-4-11(8-18)15-10/h1-2,7,10-11,15H,3-6,8-9H2,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 308.41 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 115314251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).