2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide

C11H16N2O3S2 — CID 63660328

IUPAC2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide
SMILESCS(=O)(=O)CCSC(C(=O)NN)c1ccccc1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)8-7-17-10(11(14)13-12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)
InChIKeyKNVOGUKHABHLCY-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.50
Rot. Bonds6

About 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide

2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide (PubChem CID 63660328) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide
PubChem CID63660328
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide
SMILESCS(=O)(=O)CCSC(C(=O)NN)c1ccccc1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)8-7-17-10(11(14)13-12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)
InChIKeyKNVOGUKHABHLCY-UHFFFAOYSA-N
XLogP0.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.50
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'}

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Related Compounds

2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
CID 63580914
N-methyl-2-(2-methylsulfonylethylsulfanyl)-1-phenylpropan-1-amine
CID 64610461
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
CID 62987343
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
2-phenylpropanedihydrazide
CID 11424318
2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide
CID 63590815
4-methylsulfonyl-2-phenylbutanoic acid
CID 65429649
2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide
CID 63581022
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
2-phenyl-2-propoxyacetohydrazide
CID 63569629
2-(2-methylsulfonylethylsulfanyl)-2-pyridin-4-ylethanamine
CID 63659205

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide (CID 63660328) is 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide is CS(=O)(=O)CCSC(C(=O)NN)c1ccccc1.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide?
The InChIKey is KNVOGUKHABHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-18(15,16)8-7-17-10(11(14)13-12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide?
2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide has a molecular weight of 288.39 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)-2-phenylacetohydrazide is sourced from PubChem (CID 63660328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).