(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine

C11H26N2O2S — CID 105331426

IUPAC(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
SMILESCC(C)CCCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-9(2)7-6-8-10(13-12)11(3,4)16(5,14)15/h9-10,13H,6-8,12H2,1-5H3
InChIKeyHGNNJAJDJMYEGJ-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.47
Rot. Bonds7

About (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine

(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine (PubChem CID 105331426) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine.

Molecular Properties

Compound Name(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
PubChem CID105331426
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
SMILESCC(C)CCCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-9(2)7-6-8-10(13-12)11(3,4)16(5,14)15/h9-10,13H,6-8,12H2,1-5H3
InChIKeyHGNNJAJDJMYEGJ-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N,2,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 105028788
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105321743
(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105282659
3-ethyl-4-hydrazinyl-N,N,8-trimethylnonan-3-amine
CID 105241898
1,1,1-trifluoro-N,6-dimethylheptan-2-amine
CID 105029014
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
CID 105039485
(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105215617
N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine
CID 115819643
(3,8-dimethyl-3-piperidin-1-ylnonan-4-yl)hydrazine
CID 105241424
N-ethyl-2,5,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 114201731
[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105329655

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine?
The IUPAC name of (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine (CID 105331426) is (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine.
What is the SMILES notation for (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine?
The canonical SMILES for (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine is CC(C)CCCC(NN)C(C)(C)S(C)(=O)=O.
What is the InChIKey of (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine?
The InChIKey is HGNNJAJDJMYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-9(2)7-6-8-10(13-12)11(3,4)16(5,14)15/h9-10,13H,6-8,12H2,1-5H3.
What are the key properties of (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine?
(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine has a molecular weight of 250.41 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine is sourced from PubChem (CID 105331426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).