[1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine

C11H24N2O2S3 — CID 103347091

IUPAC[1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine
SMILESCC1SCC(C(CCCS(C)(=O)=O)NN)SC1C
InChIInChI=1S/C11H24N2O2S3/c1-8-9(2)17-11(7-16-8)10(13-12)5-4-6-18(3,14)15/h8-11,13H,4-7,12H2,1-3H3
InChIKeyFIYMXWCZURRUGO-UHFFFAOYSA-N
MW312.53 g/mol
LogP1.27
Rot. Bonds6

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

[1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 103347091) has the molecular formula C11H24N2O2S3 and a molecular weight of 312.53 g/mol. Its IUPAC name is [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine
PubChem CID103347091
Molecular FormulaC11H24N2O2S3
Molecular Weight312.53 g/mol
Exact Mass312.10
IUPAC Name[1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine
SMILESCC1SCC(C(CCCS(C)(=O)=O)NN)SC1C
InChIInChI=1S/C11H24N2O2S3/c1-8-9(2)17-11(7-16-8)10(13-12)5-4-6-18(3,14)15/h8-11,13H,4-7,12H2,1-3H3
InChIKeyFIYMXWCZURRUGO-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 51.27
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'}

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Related Compounds

[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxyethyl]hydrazine
CID 103347217
[1-(3-bicyclo[3.1.0]hexanyl)-4-methylsulfonylbutyl]hydrazine
CID 105290867
[4-methylsulfonyl-1-(oxolan-3-yl)butyl]hydrazine
CID 105229315
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 103345778
[4-methylsulfonyl-1-(4-methylthiomorpholin-3-yl)butyl]hydrazine
CID 106446242
2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345724
[2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 114226004
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylbutan-1-amine
CID 103346032
[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 107312815
[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 107193485
[1-(5,6-dimethyl-1,4-dithian-2-yl)-2,2-dimethylpropyl]hydrazine
CID 103347111
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820245

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine (CID 103347091) is [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine is CC1SCC(C(CCCS(C)(=O)=O)NN)SC1C.
What is the InChIKey of [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is FIYMXWCZURRUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S3/c1-8-9(2)17-11(7-16-8)10(13-12)5-4-6-18(3,14)15/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine?
[1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 312.53 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 103347091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).