N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine

C12H24N2S — CID 106425460

IUPACN-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCC1CCCCN1C
InChIInChI=1S/C12H24N2S/c1-3-9-15-10-7-13-11-12-6-4-5-8-14(12)2/h3,12-13H,1,4-11H2,2H3
InChIKeyTWZWHFXWXRDCNZ-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.98
Rot. Bonds7

About N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine

N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine (PubChem CID 106425460) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
PubChem CID106425460
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCC1CCCCN1C
InChIInChI=1S/C12H24N2S/c1-3-9-15-10-7-13-11-12-6-4-5-8-14(12)2/h3,12-13H,1,4-11H2,2H3
InChIKeyTWZWHFXWXRDCNZ-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.98
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

N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)ethanamine
CID 54268370
1-(3-Prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine
CID 166455970
1-Thiomorpholin-4-ylhexan-2-amine
CID 60852436
2-Thiomorpholin-4-ylhexan-1-amine
CID 61351943
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine
CID 62558856
N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine
CID 62558862
N-(2-thiomorpholin-4-ylethyl)heptan-2-amine
CID 62573803
N-[(1-methylpiperidin-2-yl)methyl]-2-methylsulfanylethanamine
CID 63982252
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
N-[2-(3-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64052425
N-[2-(3-methylthiomorpholin-4-yl)ethyl]heptan-2-amine
CID 64052834

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine (CID 106425460) is N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine is C=CCSCCNCC1CCCCN1C.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The InChIKey is TWZWHFXWXRDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-9-15-10-7-13-11-12-6-4-5-8-14(12)2/h3,12-13H,1,4-11H2,2H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine?
N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine has a molecular weight of 228.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 106425460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).