(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine

C13H30N2O3S — CID 105273689

IUPAC(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine
SMILESCCOC(C(CCCS(=O)(=O)CC)NN)C(C)(C)C
InChIInChI=1S/C13H30N2O3S/c1-6-18-12(13(3,4)5)11(15-14)9-8-10-19(16,17)7-2/h11-12,15H,6-10,14H2,1-5H3
InChIKeyYNGVEGTXZJSYOD-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.48
Rot. Bonds9

About (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine

(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine (PubChem CID 105273689) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine
PubChem CID105273689
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC Name(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine
SMILESCCOC(C(CCCS(=O)(=O)CC)NN)C(C)(C)C
InChIInChI=1S/C13H30N2O3S/c1-6-18-12(13(3,4)5)11(15-14)9-8-10-19(16,17)7-2/h11-12,15H,6-10,14H2,1-5H3
InChIKeyYNGVEGTXZJSYOD-UHFFFAOYSA-N
XLogP1.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.48
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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Related Compounds

(5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine
CID 105272341
(1-ethylsulfonyl-5,6-dimethylheptan-4-yl)hydrazine
CID 105310922
(1-cyclopropyl-1-ethoxy-5-ethylsulfonylpentan-2-yl)hydrazine
CID 105273025
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine
CID 105273739
(2-ethoxy-6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105273996
[5-ethylsulfonyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]hydrazine
CID 105310977
(1-ethylsulfonyl-6-methoxy-6-methylheptan-4-yl)hydrazine
CID 103025337
2-ethoxy-6-ethylsulfonylhexan-3-ol
CID 65095543
1-ethylsulfonyl-N,5,6-trimethylheptan-4-amine
CID 115865308
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine?
The IUPAC name of (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine (CID 105273689) is (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine.
What is the SMILES notation for (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine?
The canonical SMILES for (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine is CCOC(C(CCCS(=O)(=O)CC)NN)C(C)(C)C.
What is the InChIKey of (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine?
The InChIKey is YNGVEGTXZJSYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-6-18-12(13(3,4)5)11(15-14)9-8-10-19(16,17)7-2/h11-12,15H,6-10,14H2,1-5H3.
What are the key properties of (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine?
(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine has a molecular weight of 294.46 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine is sourced from PubChem (CID 105273689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).