5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide

C12H16N4O3S — CID 80586206

IUPAC5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCS2)c1
InChIInChI=1S/C12H16N4O3S/c13-15-8-3-4-11(16(18)19)10(6-8)12(17)14-7-9-2-1-5-20-9/h3-4,6,9,15H,1-2,5,7,13H2,(H,14,17)
InChIKeyJJHXAAVSILNMGH-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.51
Rot. Bonds5

About 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide

5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide (PubChem CID 80586206) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide
PubChem CID80586206
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCS2)c1
InChIInChI=1S/C12H16N4O3S/c13-15-8-3-4-11(16(18)19)10(6-8)12(17)14-7-9-2-1-5-20-9/h3-4,6,9,15H,1-2,5,7,13H2,(H,14,17)
InChIKeyJJHXAAVSILNMGH-UHFFFAOYSA-N
XLogP1.51
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-2-nitro-N-(thiolan-2-ylmethyl)benzamide 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-2-nitro-N-(oxan-2-ylmethyl)benzamide
CID 62237352
2-chloro-5-nitro-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 113254749
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62640963
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 62243608
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
CID 103750362
6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
CID 80612211

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide (CID 80586206) is 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide is NNc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCS2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide?
The InChIKey is JJHXAAVSILNMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c13-15-8-3-4-11(16(18)19)10(6-8)12(17)14-7-9-2-1-5-20-9/h3-4,6,9,15H,1-2,5,7,13H2,(H,14,17).
What are the key properties of 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide?
5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide has a molecular weight of 296.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide is sourced from PubChem (CID 80586206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).