(1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine

C10H24N2O3S — CID 105224952

IUPAC(1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine
SMILESCCS(=O)(=O)CCCC(CCCOC)NN
InChIInChI=1S/C10H24N2O3S/c1-3-16(13,14)9-5-7-10(12-11)6-4-8-15-2/h10,12H,3-9,11H2,1-2H3
InChIKeyWCKZCDNUSSBUGB-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.46
Rot. Bonds10

About (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine

(1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine (PubChem CID 105224952) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine
PubChem CID105224952
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name(1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine
SMILESCCS(=O)(=O)CCCC(CCCOC)NN
InChIInChI=1S/C10H24N2O3S/c1-3-16(13,14)9-5-7-10(12-11)6-4-8-15-2/h10,12H,3-9,11H2,1-2H3
InChIKeyWCKZCDNUSSBUGB-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine?
The IUPAC name of (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine (CID 105224952) is (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine.
What is the SMILES notation for (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine?
The canonical SMILES for (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine is CCS(=O)(=O)CCCC(CCCOC)NN.
What is the InChIKey of (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine?
The InChIKey is WCKZCDNUSSBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-3-16(13,14)9-5-7-10(12-11)6-4-8-15-2/h10,12H,3-9,11H2,1-2H3.
What are the key properties of (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine?
(1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine has a molecular weight of 252.38 g/mol, XLogP of 0.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonyl-7-methoxyheptan-4-yl)hydrazine is sourced from PubChem (CID 105224952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).