[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine

C14H28N2S — CID 79949160

IUPAC[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESCCCC1CCN(C2(CN)CSC(C)C2)CC1
InChIInChI=1S/C14H28N2S/c1-3-4-13-5-7-16(8-6-13)14(10-15)9-12(2)17-11-14/h12-13H,3-11,15H2,1-2H3
InChIKeyNLYABHINBCOTKF-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.72
Rot. Bonds4

About [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine

[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine (PubChem CID 79949160) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
PubChem CID79949160
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESCCCC1CCN(C2(CN)CSC(C)C2)CC1
InChIInChI=1S/C14H28N2S/c1-3-4-13-5-7-16(8-6-13)14(10-15)9-12(2)17-11-14/h12-13H,3-11,15H2,1-2H3
InChIKeyNLYABHINBCOTKF-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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Related Compounds

[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79949507
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[3,3-dimethyl-1-(4-propylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705055
[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950463
[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 79950950
[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62199436
[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 79950571
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylthiolan-3-yl]methanamine
CID 79950119
[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417179
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950832

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine (CID 79949160) is [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine is CCCC1CCN(C2(CN)CSC(C)C2)CC1.
What is the InChIKey of [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is NLYABHINBCOTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-4-13-5-7-16(8-6-13)14(10-15)9-12(2)17-11-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine?
[5-methyl-3-(4-propylpiperidin-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 [5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 79949160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).