1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine

C12H18N2S — CID 105179943

IUPAC1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine
SMILESCC1(C(N)Cc2cccnc2)CCCS1
InChIInChI=1S/C12H18N2S/c1-12(5-3-7-15-12)11(13)8-10-4-2-6-14-9-10/h2,4,6,9,11H,3,5,7-8,13H2,1H3
InChIKeyVOSGIZWSVAHZAZ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine

1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine (PubChem CID 105179943) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine
PubChem CID105179943
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine
SMILESCC1(C(N)Cc2cccnc2)CCCS1
InChIInChI=1S/C12H18N2S/c1-12(5-3-7-15-12)11(13)8-10-4-2-6-14-9-10/h2,4,6,9,11H,3,5,7-8,13H2,1H3
InChIKeyVOSGIZWSVAHZAZ-UHFFFAOYSA-N
XLogP2.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105086960
2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105113890
1-(2-methyloxan-2-yl)-2-pyridin-3-ylethanamine
CID 104736660
isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
CID 103137667
1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 104736535
N-[(2-methylthiolan-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 80722313
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine
CID 104736697
1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine
CID 106652772
N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine
CID 104736655

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine (CID 105179943) is 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine is CC1(C(N)Cc2cccnc2)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine?
The InChIKey is VOSGIZWSVAHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-12(5-3-7-15-12)11(13)8-10-4-2-6-14-9-10/h2,4,6,9,11H,3,5,7-8,13H2,1H3.
What are the key properties of 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine?
1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine has a molecular weight of 222.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105179943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).