[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine

C15H24N2O3S — CID 105292010

IUPAC[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
SMILESCOc1ccc(C)cc1CC(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11-6-7-14(20-2)12(9-11)10-13(17-16)15-5-3-4-8-21(15,18)19/h6-7,9,13,15,17H,3-5,8,10,16H2,1-2H3
InChIKeyYRHFYMWPAAPRDM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.35
Rot. Bonds5

About [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine

[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine (PubChem CID 105292010) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
PubChem CID105292010
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
SMILESCOc1ccc(C)cc1CC(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11-6-7-14(20-2)12(9-11)10-13(17-16)15-5-3-4-8-21(15,18)19/h6-7,9,13,15,17H,3-5,8,10,16H2,1-2H3
InChIKeyYRHFYMWPAAPRDM-UHFFFAOYSA-N
XLogP1.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.35
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

[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105303562
2-(2,5-dimethylphenyl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 104519961
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine
CID 105283171
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105305124
[2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine
CID 105283336
2-(2-chloro-4-methylphenyl)-1-(1,1-dioxothian-2-yl)-N-ethylethanamine
CID 106866668
[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105300920
[1-(1,4-dimethylpiperazin-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105247353
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188088

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine (CID 105292010) is [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine is COc1ccc(C)cc1CC(NN)C1CCCCS1(=O)=O.
What is the InChIKey of [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine?
The InChIKey is YRHFYMWPAAPRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-6-7-14(20-2)12(9-11)10-13(17-16)15-5-3-4-8-21(15,18)19/h6-7,9,13,15,17H,3-5,8,10,16H2,1-2H3.
What are the key properties of [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine?
[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine has a molecular weight of 312.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105292010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).