2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide

C9H15N5O5S2 — CID 80735155

IUPAC2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1
InChIInChI=1S/C9H15N5O5S2/c1-5(2)12-7(15)4-11-21(18,19)8-3-6(14(16)17)9(13-10)20-8/h3,5,11,13H,4,10H2,1-2H3,(H,12,15)
InChIKeyAZCUVOJETJYFDB-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.26
Rot. Bonds7

About 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide

2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 80735155) has the molecular formula C9H15N5O5S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID80735155
Molecular FormulaC9H15N5O5S2
Molecular Weight337.38 g/mol
Exact Mass337.05
IUPAC Name2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1
InChIInChI=1S/C9H15N5O5S2/c1-5(2)12-7(15)4-11-21(18,19)8-3-6(14(16)17)9(13-10)20-8/h3,5,11,13H,4,10H2,1-2H3,(H,12,15)
InChIKeyAZCUVOJETJYFDB-UHFFFAOYSA-N
XLogP-0.26
TPSA156.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741936
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43400349
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43397585
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793
N-tert-butyl-2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetamide
CID 115356229
5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 80736252
3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
CID 80747104
5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 80744778
5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735593
ethyl 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]acetate
CID 80742234

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide (CID 80735155) is 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1.
What is the InChIKey of 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is AZCUVOJETJYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O5S2/c1-5(2)12-7(15)4-11-21(18,19)8-3-6(14(16)17)9(13-10)20-8/h3,5,11,13H,4,10H2,1-2H3,(H,12,15).
What are the key properties of 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 337.38 g/mol, XLogP of -0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80735155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).