[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine

C14H26N2S — CID 105255972

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine
SMILESNNC(CC1CC2CCC1C2)C1CCCCS1
InChIInChI=1S/C14H26N2S/c15-16-13(14-3-1-2-6-17-14)9-12-8-10-4-5-11(12)7-10/h10-14,16H,1-9,15H2
InChIKeyWKXCYXPLNPIDHB-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.93
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine

[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine (PubChem CID 105255972) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine
PubChem CID105255972
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine
SMILESNNC(CC1CC2CCC1C2)C1CCCCS1
InChIInChI=1S/C14H26N2S/c15-16-13(14-3-1-2-6-17-14)9-12-8-10-4-5-11(12)7-10/h10-14,16H,1-9,15H2
InChIKeyWKXCYXPLNPIDHB-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
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

[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259751
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965768
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232617
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105312330
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105341600
2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
CID 80626908
[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255803
[1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105254238
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004762
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
1-(thian-2-yl)nonylhydrazine
CID 105255737
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine (CID 105255972) is [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine is NNC(CC1CC2CCC1C2)C1CCCCS1.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine?
The InChIKey is WKXCYXPLNPIDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c15-16-13(14-3-1-2-6-17-14)9-12-8-10-4-5-11(12)7-10/h10-14,16H,1-9,15H2.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine?
[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine has a molecular weight of 254.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105255972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).