(4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine

C11H17N3O4S3 — CID 43455086

IUPAC(4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine
SMILESCS(=O)(=O)c1ccc(NN)c(S(=O)(=O)N2CCSCC2)c1
InChIInChI=1S/C11H17N3O4S3/c1-20(15,16)9-2-3-10(13-12)11(8-9)21(17,18)14-4-6-19-7-5-14/h2-3,8,13H,4-7,12H2,1H3
InChIKeyAUTVFJNAFQDMQX-UHFFFAOYSA-N
MW351.48 g/mol
LogP0.11
Rot. Bonds4

About (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine

(4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine (PubChem CID 43455086) has the molecular formula C11H17N3O4S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine.

Molecular Properties

Compound Name(4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine
PubChem CID43455086
Molecular FormulaC11H17N3O4S3
Molecular Weight351.48 g/mol
Exact Mass351.04
IUPAC Name(4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine
SMILESCS(=O)(=O)c1ccc(NN)c(S(=O)(=O)N2CCSCC2)c1
InChIInChI=1S/C11H17N3O4S3/c1-20(15,16)9-2-3-10(13-12)11(8-9)21(17,18)14-4-6-19-7-5-14/h2-3,8,13H,4-7,12H2,1H3
InChIKeyAUTVFJNAFQDMQX-UHFFFAOYSA-N
XLogP0.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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(2-bromo-4-methylsulfonylphenyl)hydrazine
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4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
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(4-methylsulfonyl-2-nitrophenyl)hydrazine
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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine?
The IUPAC name of (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine (CID 43455086) is (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine.
What is the SMILES notation for (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine?
The canonical SMILES for (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine is CS(=O)(=O)c1ccc(NN)c(S(=O)(=O)N2CCSCC2)c1.
What is the InChIKey of (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine?
The InChIKey is AUTVFJNAFQDMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S3/c1-20(15,16)9-2-3-10(13-12)11(8-9)21(17,18)14-4-6-19-7-5-14/h2-3,8,13H,4-7,12H2,1H3.
What are the key properties of (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine?
(4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine has a molecular weight of 351.48 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonyl-2-thiomorpholin-4-ylsulfonylphenyl)hydrazine is sourced from PubChem (CID 43455086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).