[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine

C12H17ClN2S — CID 106650182

IUPAC[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1sccc1Cl
InChIInChI=1S/C12H17ClN2S/c13-10-7-8-16-12(10)11(15-14)9-5-3-1-2-4-6-9/h5,7-8,11,15H,1-4,6,14H2
InChIKeyCOBZZLWIBJHBPY-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.80
Rot. Bonds3

About [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine

[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine (PubChem CID 106650182) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine
PubChem CID106650182
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1sccc1Cl
InChIInChI=1S/C12H17ClN2S/c13-10-7-8-16-12(10)11(15-14)9-5-3-1-2-4-6-9/h5,7-8,11,15H,1-4,6,14H2
InChIKeyCOBZZLWIBJHBPY-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[(1E)-cycloocten-1-yl]-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 106650067
[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine
CID 106648587
[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649721
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650026
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649679
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106648872
[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106694850
[(6-chloro-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649336
[(5-chloro-2-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649316
[(3-chlorothiophen-2-yl)-(5-chlorothiophen-2-yl)methyl]hydrazine
CID 105328155

Frequently Asked Questions

What is the IUPAC name of [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine?
The IUPAC name of [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine (CID 106650182) is [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine?
The canonical SMILES for [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine is NNC(C1=CCCCCC1)c1sccc1Cl.
What is the InChIKey of [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine?
The InChIKey is COBZZLWIBJHBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c13-10-7-8-16-12(10)11(15-14)9-5-3-1-2-4-6-9/h5,7-8,11,15H,1-4,6,14H2.
What are the key properties of [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine?
[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine has a molecular weight of 256.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine is sourced from PubChem (CID 106650182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).