(2-methyl-6-methylsulfonylhexan-3-yl)hydrazine

C8H20N2O2S — CID 105199494

IUPAC(2-methyl-6-methylsulfonylhexan-3-yl)hydrazine
SMILESCC(C)C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C8H20N2O2S/c1-7(2)8(10-9)5-4-6-13(3,11)12/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYCFFVKKEJWCOCR-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.30
Rot. Bonds6

About (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine

(2-methyl-6-methylsulfonylhexan-3-yl)hydrazine (PubChem CID 105199494) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name(2-methyl-6-methylsulfonylhexan-3-yl)hydrazine
PubChem CID105199494
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name(2-methyl-6-methylsulfonylhexan-3-yl)hydrazine
SMILESCC(C)C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C8H20N2O2S/c1-7(2)8(10-9)5-4-6-13(3,11)12/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYCFFVKKEJWCOCR-UHFFFAOYSA-N
XLogP0.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine?
The IUPAC name of (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine (CID 105199494) is (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine.
What is the SMILES notation for (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine?
The canonical SMILES for (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine is CC(C)C(CCCS(C)(=O)=O)NN.
What is the InChIKey of (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine?
The InChIKey is YCFFVKKEJWCOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(2)8(10-9)5-4-6-13(3,11)12/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine?
(2-methyl-6-methylsulfonylhexan-3-yl)hydrazine has a molecular weight of 208.33 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-methylsulfonylhexan-3-yl)hydrazine is sourced from PubChem (CID 105199494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).