4-(pyridin-3-ylmethyl)thiolan-3-amine

C10H14N2S — CID 83484518

IUPAC4-(pyridin-3-ylmethyl)thiolan-3-amine
SMILESNC1CSCC1Cc1cccnc1
InChIInChI=1S/C10H14N2S/c11-10-7-13-6-9(10)4-8-2-1-3-12-5-8/h1-3,5,9-10H,4,6-7,11H2
InChIKeyGHYVVKAWIVUVIV-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.31
Rot. Bonds2

About 4-(pyridin-3-ylmethyl)thiolan-3-amine

4-(pyridin-3-ylmethyl)thiolan-3-amine (PubChem CID 83484518) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)thiolan-3-amine
PubChem CID83484518
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-(pyridin-3-ylmethyl)thiolan-3-amine
SMILESNC1CSCC1Cc1cccnc1
InChIInChI=1S/C10H14N2S/c11-10-7-13-6-9(10)4-8-2-1-3-12-5-8/h1-3,5,9-10H,4,6-7,11H2
InChIKeyGHYVVKAWIVUVIV-UHFFFAOYSA-N
XLogP1.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(pyridin-3-ylmethyl)thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
CID 22037055
3-(cyclohexa-2,4-dien-1-ylmethyl)pyridine
CID 140989889
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
3-(9H-fluoren-9-ylmethyl)pyridine
CID 141318788
(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134709218
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 162146330
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)thiolan-3-amine?
The IUPAC name of 4-(pyridin-3-ylmethyl)thiolan-3-amine (CID 83484518) is 4-(pyridin-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for 4-(pyridin-3-ylmethyl)thiolan-3-amine is NC1CSCC1Cc1cccnc1.
What is the InChIKey of 4-(pyridin-3-ylmethyl)thiolan-3-amine?
The InChIKey is GHYVVKAWIVUVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c11-10-7-13-6-9(10)4-8-2-1-3-12-5-8/h1-3,5,9-10H,4,6-7,11H2.
What are the key properties of 4-(pyridin-3-ylmethyl)thiolan-3-amine?
4-(pyridin-3-ylmethyl)thiolan-3-amine has a molecular weight of 194.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 83484518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).