2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine

C13H26N2S — CID 107132808

IUPAC2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine
SMILESCC1CCC(C)N(C(CN)C2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-10-3-4-11(2)15(8-10)13(7-14)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3
InChIKeyJDKNNAJOIMEADY-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.19
Rot. Bonds3

About 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine

2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine (PubChem CID 107132808) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine
PubChem CID107132808
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine
SMILESCC1CCC(C)N(C(CN)C2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-10-3-4-11(2)15(8-10)13(7-14)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3
InChIKeyJDKNNAJOIMEADY-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132759
2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
CID 104575450
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132688
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829
2-(thiolan-3-yl)butan-1-amine
CID 82596112
2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132650
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine
CID 107132552
1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325
3-(2,5-dimethylpiperidin-1-yl)-2-methylbutanoic acid
CID 79413839
2-methyl-1-(thiolan-3-yl)pentan-1-amine
CID 107893917
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine (CID 107132808) is 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine is CC1CCC(C)N(C(CN)C2CCSC2)C1.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine?
The InChIKey is JDKNNAJOIMEADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10-3-4-11(2)15(8-10)13(7-14)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine?
2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine has a molecular weight of 242.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 107132808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).