[3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine

C12H24N2S — CID 43266385

IUPAC[3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESCCC1CCCCN1C1(CN)CCSC1
InChIInChI=1S/C12H24N2S/c1-2-11-5-3-4-7-14(11)12(9-13)6-8-15-10-12/h11H,2-10,13H2,1H3
InChIKeyRWJHOJSVEOXZMK-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.09
Rot. Bonds3

About [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine

[3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine (PubChem CID 43266385) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine
PubChem CID43266385
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name[3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESCCC1CCCCN1C1(CN)CCSC1
InChIInChI=1S/C12H24N2S/c1-2-11-5-3-4-7-14(11)12(9-13)6-8-15-10-12/h11H,2-10,13H2,1H3
InChIKeyRWJHOJSVEOXZMK-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine (CID 43266385) is [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine is CCC1CCCCN1C1(CN)CCSC1.
What is the InChIKey of [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is RWJHOJSVEOXZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-11-5-3-4-7-14(11)12(9-13)6-8-15-10-12/h11H,2-10,13H2,1H3.
What are the key properties of [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine?
[3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 228.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylpiperidin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 43266385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).