(3-pyridin-2-ylthian-3-yl)methanamine

C11H16N2S — CID 83820526

IUPAC(3-pyridin-2-ylthian-3-yl)methanamine
SMILESNCC1(c2ccccn2)CCCSC1
InChIInChI=1S/C11H16N2S/c12-8-11(5-3-7-14-9-11)10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9,12H2
InChIKeyWUTZGXMCAZWRBP-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.81
Rot. Bonds2

About (3-pyridin-2-ylthian-3-yl)methanamine

(3-pyridin-2-ylthian-3-yl)methanamine (PubChem CID 83820526) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is (3-pyridin-2-ylthian-3-yl)methanamine.

Molecular Properties

Compound Name(3-pyridin-2-ylthian-3-yl)methanamine
PubChem CID83820526
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name(3-pyridin-2-ylthian-3-yl)methanamine
SMILESNCC1(c2ccccn2)CCCSC1
InChIInChI=1S/C11H16N2S/c12-8-11(5-3-7-14-9-11)10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9,12H2
InChIKeyWUTZGXMCAZWRBP-UHFFFAOYSA-N
XLogP1.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-ylthian-3-yl)methanamine?
The IUPAC name of (3-pyridin-2-ylthian-3-yl)methanamine (CID 83820526) is (3-pyridin-2-ylthian-3-yl)methanamine.
What is the SMILES notation for (3-pyridin-2-ylthian-3-yl)methanamine?
The canonical SMILES for (3-pyridin-2-ylthian-3-yl)methanamine is NCC1(c2ccccn2)CCCSC1.
What is the InChIKey of (3-pyridin-2-ylthian-3-yl)methanamine?
The InChIKey is WUTZGXMCAZWRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-8-11(5-3-7-14-9-11)10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9,12H2.
What are the key properties of (3-pyridin-2-ylthian-3-yl)methanamine?
(3-pyridin-2-ylthian-3-yl)methanamine has a molecular weight of 208.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-ylthian-3-yl)methanamine is sourced from PubChem (CID 83820526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).