(2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine

C9H20N2O2S — CID 105311695

IUPAC(2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine
SMILESC=CCCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-5-6-7-8(11-10)9(2,3)14(4,12)13/h5,8,11H,1,6-7,10H2,2-4H3
InChIKeyGNQVPALGAYYZTE-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.61
Rot. Bonds6

About (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine

(2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine (PubChem CID 105311695) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine.

Molecular Properties

Compound Name(2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine
PubChem CID105311695
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine
SMILESC=CCCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-5-6-7-8(11-10)9(2,3)14(4,12)13/h5,8,11H,1,6-7,10H2,2-4H3
InChIKeyGNQVPALGAYYZTE-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine?
The IUPAC name of (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine (CID 105311695) is (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine.
What is the SMILES notation for (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine?
The canonical SMILES for (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine is C=CCCC(NN)C(C)(C)S(C)(=O)=O.
What is the InChIKey of (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine?
The InChIKey is GNQVPALGAYYZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-5-6-7-8(11-10)9(2,3)14(4,12)13/h5,8,11H,1,6-7,10H2,2-4H3.
What are the key properties of (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine?
(2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine has a molecular weight of 220.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-methylsulfonylhept-6-en-3-yl)hydrazine is sourced from PubChem (CID 105311695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).