(6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine

C10H24N2O3S — CID 103025216

IUPAC(6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine
SMILESCOC(C)(C)CC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C10H24N2O3S/c1-10(2,15-3)8-9(12-11)6-5-7-16(4,13)14/h9,12H,5-8,11H2,1-4H3
InChIKeyJYDVPOWKHZIXIJ-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.46
Rot. Bonds8

About (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine

(6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine (PubChem CID 103025216) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine
PubChem CID103025216
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name(6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine
SMILESCOC(C)(C)CC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C10H24N2O3S/c1-10(2,15-3)8-9(12-11)6-5-7-16(4,13)14/h9,12H,5-8,11H2,1-4H3
InChIKeyJYDVPOWKHZIXIJ-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine?
The IUPAC name of (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine (CID 103025216) is (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine.
What is the SMILES notation for (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine?
The canonical SMILES for (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine is COC(C)(C)CC(CCCS(C)(=O)=O)NN.
What is the InChIKey of (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine?
The InChIKey is JYDVPOWKHZIXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-10(2,15-3)8-9(12-11)6-5-7-16(4,13)14/h9,12H,5-8,11H2,1-4H3.
What are the key properties of (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine?
(6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine has a molecular weight of 252.38 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine is sourced from PubChem (CID 103025216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).