2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine

C13H26N2S — CID 107132495

IUPAC2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESCN1CCC(CCNCC2CCSC2)CC1
InChIInChI=1S/C13H26N2S/c1-15-7-3-12(4-8-15)2-6-14-10-13-5-9-16-11-13/h12-14H,2-11H2,1H3
InChIKeyZIRWYSSAGJIRFY-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.06
Rot. Bonds5

About 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine

2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107132495) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107132495
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESCN1CCC(CCNCC2CCSC2)CC1
InChIInChI=1S/C13H26N2S/c1-15-7-3-12(4-8-15)2-6-14-10-13-5-9-16-11-13/h12-14H,2-11H2,1H3
InChIKeyZIRWYSSAGJIRFY-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
4-methyl-N-(thiolan-3-ylmethyl)piperazin-1-amine
CID 107132351
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173752
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
CID 114515594
N-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515397

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine (CID 107132495) is 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine is CN1CCC(CCNCC2CCSC2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is ZIRWYSSAGJIRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-15-7-3-12(4-8-15)2-6-14-10-13-5-9-16-11-13/h12-14H,2-11H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine?
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 242.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107132495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).