3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide

C12H18N4O3S — CID 63961052

IUPAC3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
SMILESCSCC(C)CNC(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H18N4O3S/c1-8(7-20-2)6-14-12(17)9-3-4-11(16(18)19)10(5-9)15-13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,17)
InChIKeyHJGRIJREQALAKE-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.61
Rot. Bonds7

About 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide

3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide (PubChem CID 63961052) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
PubChem CID63961052
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
SMILESCSCC(C)CNC(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H18N4O3S/c1-8(7-20-2)6-14-12(17)9-3-4-11(16(18)19)10(5-9)15-13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,17)
InChIKeyHJGRIJREQALAKE-UHFFFAOYSA-N
XLogP1.61
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.61
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 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide 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

3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63962522
3-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63963591
N-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]-4-nitrobenzamide
CID 82988737
N,N-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]-4-nitrobenzamide
CID 82990669
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680724
N-[(2R)-2-hydroxypropyl]-4-methylsulfanyl-3-nitrobenzamide
CID 83032433
N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
CID 63996005
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide?
The IUPAC name of 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide (CID 63961052) is 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide.
What is the SMILES notation for 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide?
The canonical SMILES for 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide is CSCC(C)CNC(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide?
The InChIKey is HJGRIJREQALAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8(7-20-2)6-14-12(17)9-3-4-11(16(18)19)10(5-9)15-13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,17).
What are the key properties of 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide?
3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide has a molecular weight of 298.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide is sourced from PubChem (CID 63961052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).