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

C14H22N2O4S — CID 105305124

IUPAC[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
SMILESCOc1ccc(OC)c(C(NN)C2CCCCS2(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-19-10-6-7-12(20-2)11(9-10)14(16-15)13-5-3-4-8-21(13,17)18/h6-7,9,13-14,16H,3-5,8,15H2,1-2H3
InChIKeyNKTNLRPUQKQLRS-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.18
Rot. Bonds5

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

[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine (PubChem CID 105305124) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
PubChem CID105305124
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
SMILESCOc1ccc(OC)c(C(NN)C2CCCCS2(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-19-10-6-7-12(20-2)11(9-10)14(16-15)13-5-3-4-8-21(13,17)18/h6-7,9,13-14,16H,3-5,8,15H2,1-2H3
InChIKeyNKTNLRPUQKQLRS-UHFFFAOYSA-N
XLogP1.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.18
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

[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105303562
[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105300920
[(1,1-dioxothian-2-yl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291598
2-[chloro-(2,5-dimethoxyphenyl)methyl]thiane 1,1-dioxide
CID 104521297
(2,4-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518335
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
N-[(1,1-dioxothian-2-yl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 104518589
[(2,5-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233270
N-[(1,1-dioxothian-2-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792931
(5-bromo-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518399

Frequently Asked Questions

What is the IUPAC name of [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The IUPAC name of [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine (CID 105305124) is [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The canonical SMILES for [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine is COc1ccc(OC)c(C(NN)C2CCCCS2(=O)=O)c1.
What is the InChIKey of [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The InChIKey is NKTNLRPUQKQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-10-6-7-12(20-2)11(9-10)14(16-15)13-5-3-4-8-21(13,17)18/h6-7,9,13-14,16H,3-5,8,15H2,1-2H3.
What are the key properties of [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine has a molecular weight of 314.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105305124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).