N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine

C11H22N2S — CID 106425505

IUPACN-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCC1CCCCN1
InChIInChI=1S/C11H22N2S/c1-2-8-14-9-7-12-10-11-5-3-4-6-13-11/h2,11-13H,1,3-10H2
InChIKeyOQJKHCLFTORKHZ-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.64
Rot. Bonds7

About N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine

N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine (PubChem CID 106425505) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine
PubChem CID106425505
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCC1CCCCN1
InChIInChI=1S/C11H22N2S/c1-2-8-14-9-7-12-10-11-5-3-4-6-13-11/h2,11-13H,1,3-10H2
InChIKeyOQJKHCLFTORKHZ-UHFFFAOYSA-N
XLogP1.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
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

3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol
CID 106309461
(2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide
CID 103810053
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
N-(azepan-2-ylmethyl)-2,2-difluoroethanamine
CID 115407441
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine
CID 84686147
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106633143
2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine (CID 106425505) is N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine is C=CCSCCNCC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine?
The InChIKey is OQJKHCLFTORKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-8-14-9-7-12-10-11-5-3-4-6-13-11/h2,11-13H,1,3-10H2.
What are the key properties of N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine?
N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine has a molecular weight of 214.38 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 106425505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).