5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine

C13H26N2S — CID 79950914

IUPAC5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine
SMILESCC1CC(NCC(C)N2CCCCC2)CS1
InChIInChI=1S/C13H26N2S/c1-11(15-6-4-3-5-7-15)9-14-13-8-12(2)16-10-13/h11-14H,3-10H2,1-2H3
InChIKeyXLYPWDILCXKBRC-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.34
Rot. Bonds4

About 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine

5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine (PubChem CID 79950914) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine
PubChem CID79950914
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine
SMILESCC1CC(NCC(C)N2CCCCC2)CS1
InChIInChI=1S/C13H26N2S/c1-11(15-6-4-3-5-7-15)9-14-13-8-12(2)16-10-13/h11-14H,3-10H2,1-2H3
InChIKeyXLYPWDILCXKBRC-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine (CID 79950914) is 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine is CC1CC(NCC(C)N2CCCCC2)CS1.
What is the InChIKey of 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine?
The InChIKey is XLYPWDILCXKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11(15-6-4-3-5-7-15)9-14-13-8-12(2)16-10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine?
5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-1-ylpropyl)thiolan-3-amine is sourced from PubChem (CID 79950914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).