[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine

C16H26N2O2S — CID 105323230

IUPAC[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2CCOC3(CCOCC3)C2)sc1C
InChIInChI=1S/C16H26N2O2S/c1-11-9-14(21-12(11)2)15(18-17)13-3-6-20-16(10-13)4-7-19-8-5-16/h9,13,15,18H,3-8,10,17H2,1-2H3
InChIKeyDCPBINOBEZSDTH-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.85
Rot. Bonds3

About [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine

[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105323230) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105323230
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2CCOC3(CCOCC3)C2)sc1C
InChIInChI=1S/C16H26N2O2S/c1-11-9-14(21-12(11)2)15(18-17)13-3-6-20-16(10-13)4-7-19-8-5-16/h9,13,15,18H,3-8,10,17H2,1-2H3
InChIKeyDCPBINOBEZSDTH-UHFFFAOYSA-N
XLogP2.85
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.85
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

[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325420
[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325176
N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017030
N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016723
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556
[(5-methylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325423
[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261454
[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279773
[(4,5-dimethylthiophen-2-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311776
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105012049
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558

Frequently Asked Questions

What is the IUPAC name of [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105323230) is [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine is Cc1cc(C(NN)C2CCOC3(CCOCC3)C2)sc1C.
What is the InChIKey of [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is DCPBINOBEZSDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-9-14(21-12(11)2)15(18-17)13-3-6-20-16(10-13)4-7-19-8-5-16/h9,13,15,18H,3-8,10,17H2,1-2H3.
What are the key properties of [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine has a molecular weight of 310.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105323230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).