[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine

C14H23ClN2S — CID 103408657

IUPAC[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
SMILESCCC1CCCC(C(NN)c2scc(C)c2Cl)C1
InChIInChI=1S/C14H23ClN2S/c1-3-10-5-4-6-11(7-10)13(17-16)14-12(15)9(2)8-18-14/h8,10-11,13,17H,3-7,16H2,1-2H3
InChIKeyMFFAQXGPHQEHMY-UHFFFAOYSA-N
MW286.87 g/mol
LogP4.43
Rot. Bonds4

About [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine

[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine (PubChem CID 103408657) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
PubChem CID103408657
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
SMILESCCC1CCCC(C(NN)c2scc(C)c2Cl)C1
InChIInChI=1S/C14H23ClN2S/c1-3-10-5-4-6-11(7-10)13(17-16)14-12(15)9(2)8-18-14/h8,10-11,13,17H,3-7,16H2,1-2H3
InChIKeyMFFAQXGPHQEHMY-UHFFFAOYSA-N
XLogP4.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine (CID 103408657) is [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine is CCC1CCCC(C(NN)c2scc(C)c2Cl)C1.
What is the InChIKey of [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine?
The InChIKey is MFFAQXGPHQEHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-3-10-5-4-6-11(7-10)13(17-16)14-12(15)9(2)8-18-14/h8,10-11,13,17H,3-7,16H2,1-2H3.
What are the key properties of [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine?
[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine has a molecular weight of 286.87 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 103408657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).