[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine

C13H21ClN2S — CID 103408753

IUPAC[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine
SMILESCc1csc(C(NN)C2CCCCCC2)c1Cl
InChIInChI=1S/C13H21ClN2S/c1-9-8-17-13(11(9)14)12(16-15)10-6-4-2-3-5-7-10/h8,10,12,16H,2-7,15H2,1H3
InChIKeyIMMVICFZXGBZOG-UHFFFAOYSA-N
MW272.84 g/mol
LogP4.18
Rot. Bonds3

About [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine

[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine (PubChem CID 103408753) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine
PubChem CID103408753
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine
SMILESCc1csc(C(NN)C2CCCCCC2)c1Cl
InChIInChI=1S/C13H21ClN2S/c1-9-8-17-13(11(9)14)12(16-15)10-6-4-2-3-5-7-10/h8,10,12,16H,2-7,15H2,1H3
InChIKeyIMMVICFZXGBZOG-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 54.18
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

[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 103408657
(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
CID 103405143
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
[cyclooctyl-(2-methylphenyl)methyl]hydrazine
CID 105254975
[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 103408526
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103406022
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 103406324
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
[cyclobutyl-(4-methylthiophen-2-yl)methyl]hydrazine
CID 131160598
[cyclopentyl-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105282522
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 103406702

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine (CID 103408753) is [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine is Cc1csc(C(NN)C2CCCCCC2)c1Cl.
What is the InChIKey of [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine?
The InChIKey is IMMVICFZXGBZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-9-8-17-13(11(9)14)12(16-15)10-6-4-2-3-5-7-10/h8,10,12,16H,2-7,15H2,1H3.
What are the key properties of [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine?
[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine has a molecular weight of 272.84 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine is sourced from PubChem (CID 103408753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).