[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate

C8H9N3O4S — CID 175436471

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
SMILESNC(=O)OCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C8H9N3O4S/c9-8(14)15-4-6(12)10-11-7(13)5-2-1-3-16-5/h1-3H,4H2,(H2,9,14)(H,10,12)(H,11,13)
InChIKeyZUAAJWSMWKBOFB-UHFFFAOYSA-N
MW243.24 g/mol
LogP-0.40
Rot. Bonds3

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate (PubChem CID 175436471) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
PubChem CID175436471
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
SMILESNC(=O)OCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C8H9N3O4S/c9-8(14)15-4-6(12)10-11-7(13)5-2-1-3-16-5/h1-3H,4H2,(H2,9,14)(H,10,12)(H,11,13)
InChIKeyZUAAJWSMWKBOFB-UHFFFAOYSA-N
XLogP-0.40
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.40
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

1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
CID 3876775
trans-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2539027
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylcyclopropane-1-carboxylate
CID 4885518
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylbenzoate
CID 18074659
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethyl)benzoate
CID 4559758
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
CID 4858613
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18099302
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-3-methylbenzoate
CID 7416045
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate
CID 4560871
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-bromo-2-hydroxybenzoate
CID 25102395
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-4-methylbenzoate
CID 9114378

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate (CID 175436471) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate is NC(=O)OCC(=O)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate?
The InChIKey is ZUAAJWSMWKBOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c9-8(14)15-4-6(12)10-11-7(13)5-2-1-3-16-5/h1-3H,4H2,(H2,9,14)(H,10,12)(H,11,13).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate has a molecular weight of 243.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate is sourced from PubChem (CID 175436471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).