[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine

C13H18Cl2N2O2S — CID 107970487

IUPAC[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1cc(Cl)sc1Cl)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H18Cl2N2O2S/c14-10-5-9(12(15)20-10)11(17-16)8-1-3-19-13(6-8)2-4-18-7-13/h5,8,11,17H,1-4,6-7,16H2
InChIKeyOIEAKRICCZLFDD-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.14
Rot. Bonds3

About [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine

[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 107970487) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID107970487
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1cc(Cl)sc1Cl)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H18Cl2N2O2S/c14-10-5-9(12(15)20-10)11(17-16)8-1-3-19-13(6-8)2-4-18-7-13/h5,8,11,17H,1-4,6-7,16H2
InChIKeyOIEAKRICCZLFDD-UHFFFAOYSA-N
XLogP3.14
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.14
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-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556
[(3,5-dichloro-2-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248860
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
N-[(2,5-dichlorothiophen-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107968699
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
[(3-chloro-2-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 103445920
[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258737
[(4-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193249
(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 107969804

Frequently Asked Questions

What is the IUPAC name of [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 107970487) is [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is NNC(c1cc(Cl)sc1Cl)C1CCOC2(CCOC2)C1.
What is the InChIKey of [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is OIEAKRICCZLFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c14-10-5-9(12(15)20-10)11(17-16)8-1-3-19-13(6-8)2-4-18-7-13/h5,8,11,17H,1-4,6-7,16H2.
What are the key properties of [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 337.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 107970487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).