[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine

C13H21ClN2OS — CID 103170459

IUPAC[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
SMILESCCOC1CC(CC(Cc2ccc(Cl)s2)NN)C1
InChIInChI=1S/C13H21ClN2OS/c1-2-17-11-6-9(7-11)5-10(16-15)8-12-3-4-13(14)18-12/h3-4,9-11,16H,2,5-8,15H2,1H3
InChIKeyFONKTXWIBCCIED-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.98
Rot. Bonds7

About [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine

[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine (PubChem CID 103170459) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
PubChem CID103170459
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
SMILESCCOC1CC(CC(Cc2ccc(Cl)s2)NN)C1
InChIInChI=1S/C13H21ClN2OS/c1-2-17-11-6-9(7-11)5-10(16-15)8-12-3-4-13(14)18-12/h3-4,9-11,16H,2,5-8,15H2,1H3
InChIKeyFONKTXWIBCCIED-UHFFFAOYSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
[1-(4-bromo-2-chlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170787
[1-(3-ethoxycyclobutyl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 103170384
[1-(2,6-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170731
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167780
[1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 103170383
[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170713
3-(5-chlorothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244888
[1-(3-bromophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170381
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
[1-(5-chlorothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295965

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine (CID 103170459) is [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine is CCOC1CC(CC(Cc2ccc(Cl)s2)NN)C1.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The InChIKey is FONKTXWIBCCIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-2-17-11-6-9(7-11)5-10(16-15)8-12-3-4-13(14)18-12/h3-4,9-11,16H,2,5-8,15H2,1H3.
What are the key properties of [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine has a molecular weight of 288.84 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine is sourced from PubChem (CID 103170459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).