[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine

C13H22N2O2S — CID 105303830

IUPAC[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine
SMILESCCCc1ccc(C(NN)C(C)S(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-5-11-6-8-12(9-7-11)13(15-14)10(2)18(3,16)17/h6-10,13,15H,4-5,14H2,1-3H3
InChIKeyJAASZUIGRBYLMO-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.58
Rot. Bonds6

About [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine

[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine (PubChem CID 105303830) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine
PubChem CID105303830
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine
SMILESCCCc1ccc(C(NN)C(C)S(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-5-11-6-8-12(9-7-11)13(15-14)10(2)18(3,16)17/h6-10,13,15H,4-5,14H2,1-3H3
InChIKeyJAASZUIGRBYLMO-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
[2-ethyl-1-(4-propylphenyl)butyl]hydrazine
CID 105303738
[2-methoxy-1-(4-propylphenyl)propyl]hydrazine
CID 105246822
[2-methyl-2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine
CID 105303910
[1-(3,4-dichlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105281333
1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene
CID 42955161
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine
CID 104518445
[(4-ethylphenyl)-(4-propylphenyl)methyl]hydrazine
CID 105197290
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
[2-cyclopropyl-2-ethoxy-1-(4-propylphenyl)ethyl]hydrazine
CID 105272997
[2-cyclopropyl-2-methoxy-1-(4-propylphenyl)ethyl]hydrazine
CID 105272652
[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105289216

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine?
The IUPAC name of [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine (CID 105303830) is [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine.
What is the SMILES notation for [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine?
The canonical SMILES for [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine is CCCc1ccc(C(NN)C(C)S(C)(=O)=O)cc1.
What is the InChIKey of [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine?
The InChIKey is JAASZUIGRBYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-5-11-6-8-12(9-7-11)13(15-14)10(2)18(3,16)17/h6-10,13,15H,4-5,14H2,1-3H3.
What are the key properties of [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine?
[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine is sourced from PubChem (CID 105303830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).