[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine

C13H26N2S — CID 79949507

IUPAC[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCCCCCC2)CS1
InChIInChI=1S/C13H26N2S/c1-12-9-13(10-14,11-16-12)15-7-5-3-2-4-6-8-15/h12H,2-11,14H2,1H3
InChIKeyCYENUIXHIZGPLA-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.48
Rot. Bonds2

About [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine

[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine (PubChem CID 79949507) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine
PubChem CID79949507
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCCCCCC2)CS1
InChIInChI=1S/C13H26N2S/c1-12-9-13(10-14,11-16-12)15-7-5-3-2-4-6-8-15/h12H,2-11,14H2,1H3
InChIKeyCYENUIXHIZGPLA-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 79949160
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylthiolan-3-yl]methanamine
CID 79950119
[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 79950571
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950832
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950463
[3-(2,4-dimethyl-1,4-diazepan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 114086486
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 79950950
N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine
CID 83010917
[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine
CID 79950103
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310

Frequently Asked Questions

What is the IUPAC name of [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine?
The IUPAC name of [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine (CID 79949507) is [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine.
What is the SMILES notation for [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine?
The canonical SMILES for [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine is CC1CC(CN)(N2CCCCCCC2)CS1.
What is the InChIKey of [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine?
The InChIKey is CYENUIXHIZGPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-12-9-13(10-14,11-16-12)15-7-5-3-2-4-6-8-15/h12H,2-11,14H2,1H3.
What are the key properties of [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine?
[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine has a molecular weight of 242.43 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine is sourced from PubChem (CID 79949507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).