N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine

C12H18N2S — CID 104736655

IUPACN-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1cccnc1)C1CCCS1
InChIInChI=1S/C12H18N2S/c1-13-11(12-5-3-7-15-12)8-10-4-2-6-14-9-10/h2,4,6,9,11-13H,3,5,7-8H2,1H3
InChIKeyQCAUIIDMPYQDOA-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.11
Rot. Bonds4

About N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine

N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine (PubChem CID 104736655) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine
PubChem CID104736655
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1cccnc1)C1CCCS1
InChIInChI=1S/C12H18N2S/c1-13-11(12-5-3-7-15-12)8-10-4-2-6-14-9-10/h2,4,6,9,11-13H,3,5,7-8H2,1H3
InChIKeyQCAUIIDMPYQDOA-UHFFFAOYSA-N
XLogP2.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-2-pyridin-3-ylethanamine
CID 107190771
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105180006
1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105176320
N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622951
N-ethyl-1-(2-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 63861666
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622599
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621547
[1-(2-methylcyclopentyl)-2-pyridin-3-ylethyl]hydrazine
CID 107194693
1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 103759818
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 104736553

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine?
The IUPAC name of N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine (CID 104736655) is N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine is CNC(Cc1cccnc1)C1CCCS1.
What is the InChIKey of N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine?
The InChIKey is QCAUIIDMPYQDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-13-11(12-5-3-7-15-12)8-10-4-2-6-14-9-10/h2,4,6,9,11-13H,3,5,7-8H2,1H3.
What are the key properties of N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine?
N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine has a molecular weight of 222.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 104736655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).