[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

C13H20N2S — CID 105340045

IUPAC[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cc2c(s1)CCCC2)C1CCC1
InChIInChI=1S/C13H20N2S/c14-15-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)16-12/h8-9,13,15H,1-7,14H2
InChIKeyKCDDWIWYKACTGN-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.93
Rot. Bonds3

About [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 105340045) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID105340045
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cc2c(s1)CCCC2)C1CCC1
InChIInChI=1S/C13H20N2S/c14-15-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)16-12/h8-9,13,15H,1-7,14H2
InChIKeyKCDDWIWYKACTGN-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.93
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

[(4-ethylcyclohexyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105312997
1-cyclobutyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049312
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324223
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
[2-cyclobutyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]hydrazine
CID 105309957
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 104990968
cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115840619
cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
CID 105289523
1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115862831

Frequently Asked Questions

What is the IUPAC name of [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (CID 105340045) is [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is NNC(c1cc2c(s1)CCCC2)C1CCC1.
What is the InChIKey of [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is KCDDWIWYKACTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c14-15-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)16-12/h8-9,13,15H,1-7,14H2.
What are the key properties of [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 236.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105340045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).