2-methylsulfonylhept-6-en-3-ylhydrazine

C8H18N2O2S — CID 105311583

IUPAC2-methylsulfonylhept-6-en-3-ylhydrazine
SMILESC=CCCC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-4-5-6-8(10-9)7(2)13(3,11)12/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyTVCHPEHJWFGORD-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.22
Rot. Bonds6

About 2-methylsulfonylhept-6-en-3-ylhydrazine

2-methylsulfonylhept-6-en-3-ylhydrazine (PubChem CID 105311583) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methylsulfonylhept-6-en-3-ylhydrazine.

Molecular Properties

Compound Name2-methylsulfonylhept-6-en-3-ylhydrazine
PubChem CID105311583
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-methylsulfonylhept-6-en-3-ylhydrazine
SMILESC=CCCC(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-4-5-6-8(10-9)7(2)13(3,11)12/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyTVCHPEHJWFGORD-UHFFFAOYSA-N
XLogP0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.22
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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Related Compounds

N'-propan-2-yldodec-1-ene-1-sulfonohydrazide
CID 57223041
(2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine
CID 72947006
2-Methylsulfonylhept-6-en-3-amine
CID 104987630
1-Methylsulfanylhept-6-en-2-ylhydrazine
CID 105213775
1-(1,1-Dioxothiolan-3-yl)but-3-enylhydrazine
CID 105258935
7-Ethylsulfonylhept-1-en-4-ylhydrazine
CID 105269615
7-Methylsulfonylhept-1-en-4-ylhydrazine
CID 105269623
2-Methylsulfonylhex-5-en-3-ylhydrazine
CID 105289621
1-(1,1-Dioxothian-2-yl)but-3-enylhydrazine
CID 105289661
1-Methylsulfonylpent-4-en-2-ylhydrazine
CID 105289696
(2-Methyl-2-methylsulfonylhex-5-en-3-yl)hydrazine
CID 105289714
2-Methylsulfonyloct-7-en-3-ylhydrazine
CID 105311324

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylhept-6-en-3-ylhydrazine?
The IUPAC name of 2-methylsulfonylhept-6-en-3-ylhydrazine (CID 105311583) is 2-methylsulfonylhept-6-en-3-ylhydrazine.
What is the SMILES notation for 2-methylsulfonylhept-6-en-3-ylhydrazine?
The canonical SMILES for 2-methylsulfonylhept-6-en-3-ylhydrazine is C=CCCC(NN)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylhept-6-en-3-ylhydrazine?
The InChIKey is TVCHPEHJWFGORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-4-5-6-8(10-9)7(2)13(3,11)12/h4,7-8,10H,1,5-6,9H2,2-3H3.
What are the key properties of 2-methylsulfonylhept-6-en-3-ylhydrazine?
2-methylsulfonylhept-6-en-3-ylhydrazine has a molecular weight of 206.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylhept-6-en-3-ylhydrazine is sourced from PubChem (CID 105311583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).