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

C16H24N2S — CID 105313541

IUPAC[2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine
SMILESCC1CCCC(C(NN)C2CSc3ccccc32)C1
InChIInChI=1S/C16H24N2S/c1-11-5-4-6-12(9-11)16(18-17)14-10-19-15-8-3-2-7-13(14)15/h2-3,7-8,11-12,14,16,18H,4-6,9-10,17H2,1H3
InChIKeyIMSIAXBGIQRDMP-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.53
Rot. Bonds3

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

[2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine (PubChem CID 105313541) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine
PubChem CID105313541
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name[2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine
SMILESCC1CCCC(C(NN)C2CSc3ccccc32)C1
InChIInChI=1S/C16H24N2S/c1-11-5-4-6-12(9-11)16(18-17)14-10-19-15-8-3-2-7-13(14)15/h2-3,7-8,11-12,14,16,18H,4-6,9-10,17H2,1H3
InChIKeyIMSIAXBGIQRDMP-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.53
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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Related Compounds

[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105224673
1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105079433
1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105176241
[cyclobutyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210413
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105313542
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105138979
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105286232
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319554
N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721294
[(3-methylcyclohexyl)-(thian-2-yl)methyl]hydrazine
CID 105255721
[2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 105286555

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine (CID 105313541) is [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine is CC1CCCC(C(NN)C2CSc3ccccc32)C1.
What is the InChIKey of [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine?
The InChIKey is IMSIAXBGIQRDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-11-5-4-6-12(9-11)16(18-17)14-10-19-15-8-3-2-7-13(14)15/h2-3,7-8,11-12,14,16,18H,4-6,9-10,17H2,1H3.
What are the key properties of [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine?
[2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine has a molecular weight of 276.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105313541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).