3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide

C11H16N2O3S2 — CID 63591345

IUPAC3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide
SMILESCC(CC(=O)NN)Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S2/c1-8(7-11(14)13-12)17-9-3-5-10(6-4-9)18(2,15)16/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKeyGUPDFBMVXBUKEB-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.95
Rot. Bonds5

About 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide

3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide (PubChem CID 63591345) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide
PubChem CID63591345
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide
SMILESCC(CC(=O)NN)Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S2/c1-8(7-11(14)13-12)17-9-3-5-10(6-4-9)18(2,15)16/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKeyGUPDFBMVXBUKEB-UHFFFAOYSA-N
XLogP0.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide 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-phenylsulfanylbutanehydrazide
CID 63582257
3-(4-methylsulfonylphenyl)sulfanylbutan-2-one
CID 62403648
4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
4-methylsulfonylbenzohydrazide
CID 11042107
4-(4-methylsulfonylphenoxy)pentanehydrazide
CID 63569111
2-(4-methylsulfonylphenyl)sulfanyl-N-prop-2-enylpropan-1-amine
CID 63238811
2-(4-methylsulfonylphenyl)sulfanylbutanoic acid
CID 63238339
N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
CID 56822525
3-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63696626
N'-hydroxy-3-(4-methylsulfonylphenyl)sulfanylpentanimidamide
CID 76988584
(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
CID 106933378
3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
CID 63238314

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide?
The IUPAC name of 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide (CID 63591345) is 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide?
The canonical SMILES for 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide is CC(CC(=O)NN)Sc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide?
The InChIKey is GUPDFBMVXBUKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8(7-11(14)13-12)17-9-3-5-10(6-4-9)18(2,15)16/h3-6,8H,7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide?
3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide has a molecular weight of 288.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 63591345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).