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

C8H20N2O2S — CID 105282768

IUPAC(5-methyl-2-methylsulfonylhexan-3-yl)hydrazine
SMILESCC(C)CC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-6(2)5-8(10-9)7(3)13(4,11)12/h6-8,10H,5,9H2,1-4H3
InChIKeyNOFZZMKOTUNDDB-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.30
Rot. Bonds5

About (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine

(5-methyl-2-methylsulfonylhexan-3-yl)hydrazine (PubChem CID 105282768) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name(5-methyl-2-methylsulfonylhexan-3-yl)hydrazine
PubChem CID105282768
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name(5-methyl-2-methylsulfonylhexan-3-yl)hydrazine
SMILESCC(C)CC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-6(2)5-8(10-9)7(3)13(4,11)12/h6-8,10H,5,9H2,1-4H3
InChIKeyNOFZZMKOTUNDDB-UHFFFAOYSA-N
XLogP0.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine?
The IUPAC name of (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine (CID 105282768) is (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine.
What is the SMILES notation for (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine?
The canonical SMILES for (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine is CC(C)CC(NN)C(C)S(C)(=O)=O.
What is the InChIKey of (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine?
The InChIKey is NOFZZMKOTUNDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-6(2)5-8(10-9)7(3)13(4,11)12/h6-8,10H,5,9H2,1-4H3.
What are the key properties of (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine?
(5-methyl-2-methylsulfonylhexan-3-yl)hydrazine has a molecular weight of 208.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-methylsulfonylhexan-3-yl)hydrazine is sourced from PubChem (CID 105282768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).