[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine

C12H20N2O4S — CID 105323905

IUPAC[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine
SMILESCOc1cc(OC)cc(C(NN)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C12H20N2O4S/c1-8(19(4,15)16)12(14-13)9-5-10(17-2)7-11(6-9)18-3/h5-8,12,14H,13H2,1-4H3
InChIKeyZSLLJHJUCHLRTO-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.64
Rot. Bonds6

About [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine

[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine (PubChem CID 105323905) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine
PubChem CID105323905
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine
SMILESCOc1cc(OC)cc(C(NN)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C12H20N2O4S/c1-8(19(4,15)16)12(14-13)9-5-10(17-2)7-11(6-9)18-3/h5-8,12,14H,13H2,1-4H3
InChIKeyZSLLJHJUCHLRTO-UHFFFAOYSA-N
XLogP0.64
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265210
[1-(3,4-dichlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105281333
[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine
CID 105303830
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine
CID 105292563
1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105013578
[2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 102760037
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502
N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 105019058
1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 112747697
[2-methylsulfonyl-1-(2-methylthiophen-3-yl)propyl]hydrazine
CID 102843358

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine (CID 105323905) is [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine is COc1cc(OC)cc(C(NN)C(C)S(C)(=O)=O)c1.
What is the InChIKey of [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine?
The InChIKey is ZSLLJHJUCHLRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-8(19(4,15)16)12(14-13)9-5-10(17-2)7-11(6-9)18-3/h5-8,12,14H,13H2,1-4H3.
What are the key properties of [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine?
[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine has a molecular weight of 288.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 105323905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).