N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate

C12H23N3O3S — CID 67836992

IUPACN'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate
SMILESCCCS(=O)(=O)NN(CC)c1ccc(N)c(C)c1.O
InChIInChI=1S/C12H21N3O2S.H2O/c1-4-8-18(16,17)14-15(5-2)11-6-7-12(13)10(3)9-11;/h6-7,9,14H,4-5,8,13H2,1-3H3;1H2
InChIKeyGWCRRLDWJJTDAZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.82
Rot. Bonds6

About N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate

N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate (PubChem CID 67836992) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate.

Molecular Properties

Compound NameN'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate
PubChem CID67836992
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate
SMILESCCCS(=O)(=O)NN(CC)c1ccc(N)c(C)c1.O
InChIInChI=1S/C12H21N3O2S.H2O/c1-4-8-18(16,17)14-15(5-2)11-6-7-12(13)10(3)9-11;/h6-7,9,14H,4-5,8,13H2,1-3H3;1H2
InChIKeyGWCRRLDWJJTDAZ-UHFFFAOYSA-N
XLogP0.82
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate?
The IUPAC name of N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate (CID 67836992) is N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate.
What is the SMILES notation for N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate?
The canonical SMILES for N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate is CCCS(=O)(=O)NN(CC)c1ccc(N)c(C)c1.O.
What is the InChIKey of N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate?
The InChIKey is GWCRRLDWJJTDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S.H2O/c1-4-8-18(16,17)14-15(5-2)11-6-7-12(13)10(3)9-11;/h6-7,9,14H,4-5,8,13H2,1-3H3;1H2.
What are the key properties of N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate?
N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate has a molecular weight of 289.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-3-methylphenyl)-N'-ethylpropane-1-sulfonohydrazide;hydrate is sourced from PubChem (CID 67836992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).