3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine

C11H17N3S — CID 80622128

IUPAC3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
SMILESCNC(c1cnccc1N)C1CCCS1
InChIInChI=1S/C11H17N3S/c1-13-11(10-3-2-6-15-10)8-7-14-5-4-9(8)12/h4-5,7,10-11,13H,2-3,6H2,1H3,(H2,12,14)
InChIKeyMJMGLTGCNYIJML-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.82
Rot. Bonds3

About 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine

3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine (PubChem CID 80622128) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
PubChem CID80622128
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
SMILESCNC(c1cnccc1N)C1CCCS1
InChIInChI=1S/C11H17N3S/c1-13-11(10-3-2-6-15-10)8-7-14-5-4-9(8)12/h4-5,7,10-11,13H,2-3,6H2,1H3,(H2,12,14)
InChIKeyMJMGLTGCNYIJML-UHFFFAOYSA-N
XLogP1.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine (CID 80622128) is 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine is CNC(c1cnccc1N)C1CCCS1.
What is the InChIKey of 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine?
The InChIKey is MJMGLTGCNYIJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-13-11(10-3-2-6-15-10)8-7-14-5-4-9(8)12/h4-5,7,10-11,13H,2-3,6H2,1H3,(H2,12,14).
What are the key properties of 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine?
3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine has a molecular weight of 223.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 80622128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).