[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine

C16H22N2S — CID 106650324

IUPAC[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)C1Cc2ccccc2S1
InChIInChI=1S/C16H22N2S/c17-18-16(12-7-3-1-2-4-8-12)15-11-13-9-5-6-10-14(13)19-15/h5-7,9-10,15-16,18H,1-4,8,11,17H2
InChIKeyXOOBANMSVVEQAD-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.43
Rot. Bonds3

About [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine

[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 106650324) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID106650324
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)C1Cc2ccccc2S1
InChIInChI=1S/C16H22N2S/c17-18-16(12-7-3-1-2-4-8-12)15-11-13-9-5-6-10-14(13)19-15/h5-7,9-10,15-16,18H,1-4,8,11,17H2
InChIKeyXOOBANMSVVEQAD-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.43
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

cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 106657385
[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 106649088
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105287045
[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328374
[cyclohepten-1-yl-(2-methylcyclopentyl)methyl]hydrazine
CID 107195085
[2,3-dihydro-1-benzothiophen-2-yl-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332622
[3-bicyclo[3.1.0]hexanyl(cyclohepten-1-yl)methyl]hydrazine
CID 106650217
[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine
CID 112742896
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 66396114
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
[cyclohexen-1-yl-(2-methylcyclopentyl)methyl]hydrazine
CID 107195089

Frequently Asked Questions

What is the IUPAC name of [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine (CID 106650324) is [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine is NNC(C1=CCCCCC1)C1Cc2ccccc2S1.
What is the InChIKey of [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is XOOBANMSVVEQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c17-18-16(12-7-3-1-2-4-8-12)15-11-13-9-5-6-10-14(13)19-15/h5-7,9-10,15-16,18H,1-4,8,11,17H2.
What are the key properties of [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine?
[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 274.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 106650324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).