[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine

C10H22N2O2S3 — CID 114984877

IUPAC[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCCC1SCCSC1C(CCS(C)(=O)=O)NN
InChIInChI=1S/C10H22N2O2S3/c1-3-9-10(16-6-5-15-9)8(12-11)4-7-17(2,13)14/h8-10,12H,3-7,11H2,1-2H3
InChIKeyNQHYWHOWDHKCOF-UHFFFAOYSA-N
MW298.50 g/mol
LogP0.88
Rot. Bonds6

About [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine

[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114984877) has the molecular formula C10H22N2O2S3 and a molecular weight of 298.50 g/mol. Its IUPAC name is [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114984877
Molecular FormulaC10H22N2O2S3
Molecular Weight298.50 g/mol
Exact Mass298.08
IUPAC Name[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCCC1SCCSC1C(CCS(C)(=O)=O)NN
InChIInChI=1S/C10H22N2O2S3/c1-3-9-10(16-6-5-15-9)8(12-11)4-7-17(2,13)14/h8-10,12H,3-7,11H2,1-2H3
InChIKeyNQHYWHOWDHKCOF-UHFFFAOYSA-N
XLogP0.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 50.88
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-(3-ethyl-1,4-dithian-2-yl)nonylhydrazine
CID 105259853
[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine
CID 105259775
[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105259943
1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
CID 105259884
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105259904
[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105259979
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259988
1-(3-ethyl-1,4-dithian-2-yl)-N-propylheptan-1-amine
CID 115388185
1-(3-methyl-1,4-dithian-2-yl)octylhydrazine
CID 105259521
1-(3-ethyl-1,4-dithian-2-yl)-N-methylbut-3-yn-1-amine
CID 115387903
2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387594

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine (CID 114984877) is [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine is CCC1SCCSC1C(CCS(C)(=O)=O)NN.
What is the InChIKey of [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is NQHYWHOWDHKCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S3/c1-3-9-10(16-6-5-15-9)8(12-11)4-7-17(2,13)14/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine?
[1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 298.50 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1,4-dithian-2-yl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114984877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).