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

C14H22N2O3S — CID 105303562

IUPAC[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
SMILESCOc1ccc(C)cc1C(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-10-6-7-12(19-2)11(9-10)14(16-15)13-5-3-4-8-20(13,17)18/h6-7,9,13-14,16H,3-5,8,15H2,1-2H3
InChIKeyAYVVZDLGDQDIKC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds4

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

[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine (PubChem CID 105303562) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
PubChem CID105303562
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
SMILESCOc1ccc(C)cc1C(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-10-6-7-12(19-2)11(9-10)14(16-15)13-5-3-4-8-20(13,17)18/h6-7,9,13-14,16H,3-5,8,15H2,1-2H3
InChIKeyAYVVZDLGDQDIKC-UHFFFAOYSA-N
XLogP1.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.48
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

[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105305124
[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105300920
[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105292010
[(1,1-dioxothian-2-yl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291598
1-(5-chloro-2-methoxyphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 104545857
N-[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 104545953
N-[(5-bromo-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 104518557
(5-bromo-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518399
N-[(1,1-dioxothian-2-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792931
[(2-methoxy-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105303576
2-[chloro-(2,5-dimethoxyphenyl)methyl]thiane 1,1-dioxide
CID 104521297
(4,5-dimethoxy-2-methylphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518749

Frequently Asked Questions

What is the IUPAC name of [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine?
The IUPAC name of [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine (CID 105303562) is [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine is COc1ccc(C)cc1C(NN)C1CCCCS1(=O)=O.
What is the InChIKey of [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine?
The InChIKey is AYVVZDLGDQDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-7-12(19-2)11(9-10)14(16-15)13-5-3-4-8-20(13,17)18/h6-7,9,13-14,16H,3-5,8,15H2,1-2H3.
What are the key properties of [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine?
[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine has a molecular weight of 298.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105303562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).