5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide

C9H14N4O4S3 — CID 80741598

IUPAC5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1
InChIInChI=1S/C9H14N4O4S3/c1-12(6-2-3-18-5-6)20(16,17)8-4-7(13(14)15)9(11-10)19-8/h4,6,11H,2-3,5,10H2,1H3
InChIKeyPOQCBAKHKPHSBQ-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.07
Rot. Bonds5

About 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide

5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide (PubChem CID 80741598) has the molecular formula C9H14N4O4S3 and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide
PubChem CID80741598
Molecular FormulaC9H14N4O4S3
Molecular Weight338.44 g/mol
Exact Mass338.02
IUPAC Name5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1
InChIInChI=1S/C9H14N4O4S3/c1-12(6-2-3-18-5-6)20(16,17)8-4-7(13(14)15)9(11-10)19-8/h4,6,11H,2-3,5,10H2,1H3
InChIKeyPOQCBAKHKPHSBQ-UHFFFAOYSA-N
XLogP1.07
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
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 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide 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-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741936
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742364
5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 80736252
N-(2-cyanoethyl)-N-ethyl-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80741805
3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 60808304
[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine
CID 80745555
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide (CID 80741598) is 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide is CN(C1CCSC1)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1.
What is the InChIKey of 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is POQCBAKHKPHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S3/c1-12(6-2-3-18-5-6)20(16,17)8-4-7(13(14)15)9(11-10)19-8/h4,6,11H,2-3,5,10H2,1H3.
What are the key properties of 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide?
5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 338.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 80741598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).