N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine

C12H19N3S — CID 62279218

IUPACN-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine
SMILESCNCc1cc(N(C)C2CCSC2)ccn1
InChIInChI=1S/C12H19N3S/c1-13-8-10-7-11(3-5-14-10)15(2)12-4-6-16-9-12/h3,5,7,12-13H,4,6,8-9H2,1-2H3
InChIKeyLWNDHFQBSWBPAB-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.74
Rot. Bonds4

About N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine

N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine (PubChem CID 62279218) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine
PubChem CID62279218
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine
SMILESCNCc1cc(N(C)C2CCSC2)ccn1
InChIInChI=1S/C12H19N3S/c1-13-8-10-7-11(3-5-14-10)15(2)12-4-6-16-9-12/h3,5,7,12-13H,4,6,8-9H2,1-2H3
InChIKeyLWNDHFQBSWBPAB-UHFFFAOYSA-N
XLogP1.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine (CID 62279218) is N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine is CNCc1cc(N(C)C2CCSC2)ccn1.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine?
The InChIKey is LWNDHFQBSWBPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-13-8-10-7-11(3-5-14-10)15(2)12-4-6-16-9-12/h3,5,7,12-13H,4,6,8-9H2,1-2H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine?
N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine has a molecular weight of 237.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine is sourced from PubChem (CID 62279218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).