(5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine

C12H28N2O3S — CID 105272341

IUPAC(5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine
SMILESCCOC(C(C)C)C(CCCS(=O)(=O)CC)NN
InChIInChI=1S/C12H28N2O3S/c1-5-17-12(10(3)4)11(14-13)8-7-9-18(15,16)6-2/h10-12,14H,5-9,13H2,1-4H3
InChIKeyPESUGGNKMQNABI-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.09
Rot. Bonds10

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

(5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine (PubChem CID 105272341) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine
PubChem CID105272341
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC Name(5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine
SMILESCCOC(C(C)C)C(CCCS(=O)(=O)CC)NN
InChIInChI=1S/C12H28N2O3S/c1-5-17-12(10(3)4)11(14-13)8-7-9-18(15,16)6-2/h10-12,14H,5-9,13H2,1-4H3
InChIKeyPESUGGNKMQNABI-UHFFFAOYSA-N
XLogP1.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.09
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'}

Analyze (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethylsulfonyl-5,6-dimethylheptan-4-yl)hydrazine
CID 105310922
(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine
CID 105273689
(1-cyclopropyl-1-ethoxy-5-ethylsulfonylpentan-2-yl)hydrazine
CID 105273025
(3-ethoxy-2,6-dimethyloctan-4-yl)hydrazine
CID 105272508
5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine
CID 116720841
2-ethoxy-6-ethylsulfonylhexan-3-ol
CID 65095543
1-ethylsulfonyl-N,5,6-trimethylheptan-4-amine
CID 115865308
(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
(3-ethoxy-2,5-dimethyloctan-4-yl)hydrazine
CID 107895343
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
(1-ethylsulfonyl-6-methoxy-6-methylheptan-4-yl)hydrazine
CID 103025337

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine?
The IUPAC name of (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine (CID 105272341) is (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine.
What is the SMILES notation for (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine?
The canonical SMILES for (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine is CCOC(C(C)C)C(CCCS(=O)(=O)CC)NN.
What is the InChIKey of (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine?
The InChIKey is PESUGGNKMQNABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-5-17-12(10(3)4)11(14-13)8-7-9-18(15,16)6-2/h10-12,14H,5-9,13H2,1-4H3.
What are the key properties of (5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine?
(5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine has a molecular weight of 280.43 g/mol, XLogP of 1.09, 10 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-methylheptan-4-yl)hydrazine is sourced from PubChem (CID 105272341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).