(5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine

C8H20N2O3S — CID 114984912

IUPAC(5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine
SMILESCOC(C)CC(CCS(C)(=O)=O)NN
InChIInChI=1S/C8H20N2O3S/c1-7(13-2)6-8(10-9)4-5-14(3,11)12/h7-8,10H,4-6,9H2,1-3H3
InChIKeyLZBFWKWYLWGLOD-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds7

About (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine

(5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine (PubChem CID 114984912) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name(5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine
PubChem CID114984912
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name(5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine
SMILESCOC(C)CC(CCS(C)(=O)=O)NN
InChIInChI=1S/C8H20N2O3S/c1-7(13-2)6-8(10-9)4-5-14(3,11)12/h7-8,10H,4-6,9H2,1-3H3
InChIKeyLZBFWKWYLWGLOD-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.32
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

[6-Methylsulfonyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151442
[1-(2,2-Difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine
CID 103151761
[1-(2,2-Difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine
CID 103152082
[6-Ethylsulfonyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 113781322
[1-(2-Methoxyethoxy)-6-methylsulfonylhexan-3-yl]hydrazine
CID 102929756
[6-Ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-yl]hydrazine
CID 102930045
(6-Methoxy-6-methyl-1-methylsulfonylheptan-4-yl)hydrazine
CID 103025216
(5-Methoxy-5-methyl-1-methylsulfonylhexan-2-yl)hydrazine
CID 103026428
[5-Ethylsulfonyl-1-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105198531
[5-Methylsulfonyl-1-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105198538
(6-Ethylsulfonyl-1-methoxyhexan-3-yl)hydrazine
CID 105206279
(1-Methoxy-6-methylsulfonylhexan-3-yl)hydrazine
CID 105206286

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine?
The IUPAC name of (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine (CID 114984912) is (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine.
What is the SMILES notation for (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine?
The canonical SMILES for (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine is COC(C)CC(CCS(C)(=O)=O)NN.
What is the InChIKey of (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine?
The InChIKey is LZBFWKWYLWGLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-7(13-2)6-8(10-9)4-5-14(3,11)12/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine?
(5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine has a molecular weight of 224.33 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylsulfonylhexan-3-yl)hydrazine is sourced from PubChem (CID 114984912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).