N-(pyridin-2-ylmethyl)thiolan-3-amine

C10H14N2S — CID 43178951

IUPACN-(pyridin-2-ylmethyl)thiolan-3-amine
SMILESc1ccc(CNC2CCSC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-5-11-9(3-1)7-12-10-4-6-13-8-10/h1-3,5,10,12H,4,6-8H2
InChIKeyJHNRUBIBMYVSNU-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.68
Rot. Bonds3

About N-(pyridin-2-ylmethyl)thiolan-3-amine

N-(pyridin-2-ylmethyl)thiolan-3-amine (PubChem CID 43178951) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)thiolan-3-amine
PubChem CID43178951
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-(pyridin-2-ylmethyl)thiolan-3-amine
SMILESc1ccc(CNC2CCSC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-5-11-9(3-1)7-12-10-4-6-13-8-10/h1-3,5,10,12H,4,6-8H2
InChIKeyJHNRUBIBMYVSNU-UHFFFAOYSA-N
XLogP1.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine
CID 63830032
N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
CID 115625870
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
CID 115709441
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 43632173
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)thiolan-3-amine (CID 43178951) is N-(pyridin-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)thiolan-3-amine is c1ccc(CNC2CCSC2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)thiolan-3-amine?
The InChIKey is JHNRUBIBMYVSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-5-11-9(3-1)7-12-10-4-6-13-8-10/h1-3,5,10,12H,4,6-8H2.
What are the key properties of N-(pyridin-2-ylmethyl)thiolan-3-amine?
N-(pyridin-2-ylmethyl)thiolan-3-amine has a molecular weight of 194.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 43178951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).