N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine

C14H24N2S — CID 113253508

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine
SMILESC1=CC2CC1CC2CNCCN1CCSCC1
InChIInChI=1S/C14H24N2S/c1-2-13-9-12(1)10-14(13)11-15-3-4-16-5-7-17-8-6-16/h1-2,12-15H,3-11H2
InChIKeyHSQZGARCUJCLMT-UHFFFAOYSA-N
MW252.43 g/mol
LogP1.84
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine (PubChem CID 113253508) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine
PubChem CID113253508
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine
SMILESC1=CC2CC1CC2CNCCN1CCSCC1
InChIInChI=1S/C14H24N2S/c1-2-13-9-12(1)10-14(13)11-15-3-4-16-5-7-17-8-6-16/h1-2,12-15H,3-11H2
InChIKeyHSQZGARCUJCLMT-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)piperazine
CID 3484626
2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)thiomorpholine
CID 123952024
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylpiperazine-1,4-diium
CID 11861529
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylpiperazine-1,4-diium
CID 11894789
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylpiperazine-1,4-diium
CID 18389551
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylpiperazine-1,4-diium
CID 20024280
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 28355405
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 28355407
1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)piperazine dihydrochloride
CID 44828158
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine
CID 54967666
1-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 55254726
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylsulfanylethanamine
CID 60669484

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine (CID 113253508) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine is C1=CC2CC1CC2CNCCN1CCSCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is HSQZGARCUJCLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-13-9-12(1)10-14(13)11-15-3-4-16-5-7-17-8-6-16/h1-2,12-15H,3-11H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine has a molecular weight of 252.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 113253508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).