3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine

C11H17N3OS — CID 79962941

IUPAC3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine
SMILESCNC(c1cccnc1N)C1CSCCO1
InChIInChI=1S/C11H17N3OS/c1-13-10(9-7-16-6-5-15-9)8-3-2-4-14-11(8)12/h2-4,9-10,13H,5-7H2,1H3,(H2,12,14)
InChIKeyJILAPWUIAFLBIY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.06
Rot. Bonds3

About 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine

3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine (PubChem CID 79962941) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine
PubChem CID79962941
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine
SMILESCNC(c1cccnc1N)C1CSCCO1
InChIInChI=1S/C11H17N3OS/c1-13-10(9-7-16-6-5-15-9)8-3-2-4-14-11(8)12/h2-4,9-10,13H,5-7H2,1H3,(H2,12,14)
InChIKeyJILAPWUIAFLBIY-UHFFFAOYSA-N
XLogP1.06
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine (CID 79962941) is 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine is CNC(c1cccnc1N)C1CSCCO1.
What is the InChIKey of 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine?
The InChIKey is JILAPWUIAFLBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13-10(9-7-16-6-5-15-9)8-3-2-4-14-11(8)12/h2-4,9-10,13H,5-7H2,1H3,(H2,12,14).
What are the key properties of 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine?
3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79962941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).