[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine

C13H22N2O3S — CID 114984994

IUPAC[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine
SMILESCOc1ccc(CCC(CCS(C)(=O)=O)NN)cc1
InChIInChI=1S/C13H22N2O3S/c1-18-13-7-4-11(5-8-13)3-6-12(15-14)9-10-19(2,16)17/h4-5,7-8,12,15H,3,6,9-10,14H2,1-2H3
InChIKeyXIFNKQKJCGFHBR-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.89
Rot. Bonds8

About [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine

[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine (PubChem CID 114984994) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine
PubChem CID114984994
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine
SMILESCOc1ccc(CCC(CCS(C)(=O)=O)NN)cc1
InChIInChI=1S/C13H22N2O3S/c1-18-13-7-4-11(5-8-13)3-6-12(15-14)9-10-19(2,16)17/h4-5,7-8,12,15H,3,6,9-10,14H2,1-2H3
InChIKeyXIFNKQKJCGFHBR-UHFFFAOYSA-N
XLogP0.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.89
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-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine
CID 105310787
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine
CID 115820668
[6-methoxy-1-(4-methoxyphenyl)-6-methylheptan-3-yl]hydrazine
CID 103026524
[1-(4-methoxyphenyl)-5-methylheptan-3-yl]hydrazine
CID 105298442
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
(1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine
CID 114984584
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine
CID 105204960
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine?
The IUPAC name of [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine (CID 114984994) is [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine?
The canonical SMILES for [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine is COc1ccc(CCC(CCS(C)(=O)=O)NN)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine?
The InChIKey is XIFNKQKJCGFHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-18-13-7-4-11(5-8-13)3-6-12(15-14)9-10-19(2,16)17/h4-5,7-8,12,15H,3,6,9-10,14H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine?
[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine has a molecular weight of 286.40 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine is sourced from PubChem (CID 114984994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).