[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine

C14H28N2S — CID 55165075

IUPAC[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESCCC1(CC)CCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C14H28N2S/c1-3-13(4-2)5-8-16(9-6-13)14(11-15)7-10-17-12-14/h3-12,15H2,1-2H3
InChIKeyVSOHSZLDNVOLBP-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.72
Rot. Bonds4

About [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine

[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine (PubChem CID 55165075) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
PubChem CID55165075
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESCCC1(CC)CCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C14H28N2S/c1-3-13(4-2)5-8-16(9-6-13)14(11-15)7-10-17-12-14/h3-12,15H2,1-2H3
InChIKeyVSOHSZLDNVOLBP-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine (CID 55165075) is [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine is CCC1(CC)CCN(C2(CN)CCSC2)CC1.
What is the InChIKey of [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is VSOHSZLDNVOLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-13(4-2)5-8-16(9-6-13)14(11-15)7-10-17-12-14/h3-12,15H2,1-2H3.
What are the key properties of [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine?
[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 256.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 55165075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).