[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine

C15H26N2O3S — CID 105310787

IUPAC[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(CCc1ccc(OC)cc1)NN
InChIInChI=1S/C15H26N2O3S/c1-3-21(18,19)12-4-5-14(17-16)9-6-13-7-10-15(20-2)11-8-13/h7-8,10-11,14,17H,3-6,9,12,16H2,1-2H3
InChIKeyQZSPGVXHQLSUJT-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.67
Rot. Bonds10

About [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine

[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine (PubChem CID 105310787) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine.

Molecular Properties

Compound Name[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine
PubChem CID105310787
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(CCc1ccc(OC)cc1)NN
InChIInChI=1S/C15H26N2O3S/c1-3-21(18,19)12-4-5-14(17-16)9-6-13-7-10-15(20-2)11-8-13/h7-8,10-11,14,17H,3-6,9,12,16H2,1-2H3
InChIKeyQZSPGVXHQLSUJT-UHFFFAOYSA-N
XLogP1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.67
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

[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine
CID 114984994
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105310803
[1-(4-methoxyphenyl)-5-methylheptan-3-yl]hydrazine
CID 105298442
[6-methoxy-1-(4-methoxyphenyl)-6-methylheptan-3-yl]hydrazine
CID 103026524
5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 65097604
1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine
CID 115820668
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
1-(4-methylphenyl)nonan-3-ylhydrazine
CID 105293919
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110

Frequently Asked Questions

What is the IUPAC name of [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine?
The IUPAC name of [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine (CID 105310787) is [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine.
What is the SMILES notation for [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine?
The canonical SMILES for [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine is CCS(=O)(=O)CCCC(CCc1ccc(OC)cc1)NN.
What is the InChIKey of [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine?
The InChIKey is QZSPGVXHQLSUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-21(18,19)12-4-5-14(17-16)9-6-13-7-10-15(20-2)11-8-13/h7-8,10-11,14,17H,3-6,9,12,16H2,1-2H3.
What are the key properties of [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine?
[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine has a molecular weight of 314.45 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine is sourced from PubChem (CID 105310787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).