[(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C14H28N2O2S3 — CID 103347269

IUPAC[(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCC1SCC(C(NN)C2CCCC(S(C)(=O)=O)C2)SC1C
InChIInChI=1S/C14H28N2O2S3/c1-9-10(2)20-13(8-19-9)14(16-15)11-5-4-6-12(7-11)21(3,17)18/h9-14,16H,4-8,15H2,1-3H3
InChIKeyPQCBUUPTSGTYSW-UHFFFAOYSA-N
MW352.59 g/mol
LogP2.05
Rot. Bonds4

About [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 103347269) has the molecular formula C14H28N2O2S3 and a molecular weight of 352.59 g/mol. Its IUPAC name is [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID103347269
Molecular FormulaC14H28N2O2S3
Molecular Weight352.59 g/mol
Exact Mass352.13
IUPAC Name[(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCC1SCC(C(NN)C2CCCC(S(C)(=O)=O)C2)SC1C
InChIInChI=1S/C14H28N2O2S3/c1-9-10(2)20-13(8-19-9)14(16-15)11-5-4-6-12(7-11)21(3,17)18/h9-14,16H,4-8,15H2,1-3H3
InChIKeyPQCBUUPTSGTYSW-UHFFFAOYSA-N
XLogP2.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 103347269) is [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is CC1SCC(C(NN)C2CCCC(S(C)(=O)=O)C2)SC1C.
What is the InChIKey of [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is PQCBUUPTSGTYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S3/c1-9-10(2)20-13(8-19-9)14(16-15)11-5-4-6-12(7-11)21(3,17)18/h9-14,16H,4-8,15H2,1-3H3.
What are the key properties of [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 352.59 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 103347269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).