5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine

C12H18N2OS — CID 107296752

IUPAC5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine
SMILESCOc1cnc(C)cc1NCC1CCSC1
InChIInChI=1S/C12H18N2OS/c1-9-5-11(12(15-2)7-13-9)14-6-10-3-4-16-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyYVUIHFRQDAAKJK-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.56
Rot. Bonds4

About 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine

5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine (PubChem CID 107296752) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine
PubChem CID107296752
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine
SMILESCOc1cnc(C)cc1NCC1CCSC1
InChIInChI=1S/C12H18N2OS/c1-9-5-11(12(15-2)7-13-9)14-6-10-3-4-16-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyYVUIHFRQDAAKJK-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine?
The IUPAC name of 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine (CID 107296752) is 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine?
The canonical SMILES for 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine is COc1cnc(C)cc1NCC1CCSC1.
What is the InChIKey of 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine?
The InChIKey is YVUIHFRQDAAKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-5-11(12(15-2)7-13-9)14-6-10-3-4-16-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine?
5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine has a molecular weight of 238.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 107296752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).