(1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine

C8H20N2O3S — CID 105206286

IUPAC(1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine
SMILESCOCCC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C8H20N2O3S/c1-13-6-5-8(10-9)4-3-7-14(2,11)12/h8,10H,3-7,9H2,1-2H3
InChIKeyBWJCHGTXIGIAEI-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds8

About (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine

(1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine (PubChem CID 105206286) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name(1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine
PubChem CID105206286
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name(1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine
SMILESCOCCC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C8H20N2O3S/c1-13-6-5-8(10-9)4-3-7-14(2,11)12/h8,10H,3-7,9H2,1-2H3
InChIKeyBWJCHGTXIGIAEI-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.32
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 (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine?
The IUPAC name of (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine (CID 105206286) is (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine.
What is the SMILES notation for (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine?
The canonical SMILES for (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine is COCCC(CCCS(C)(=O)=O)NN.
What is the InChIKey of (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine?
The InChIKey is BWJCHGTXIGIAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-13-6-5-8(10-9)4-3-7-14(2,11)12/h8,10H,3-7,9H2,1-2H3.
What are the key properties of (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine?
(1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine has a molecular weight of 224.33 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-6-methylsulfonylhexan-3-yl)hydrazine is sourced from PubChem (CID 105206286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).