N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine

C12H21N3O2S — CID 80635616

IUPACN,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H21N3O2S/c1-10-7-11(8-13-2)9-14-12(10)15(3)5-6-18(4,16)17/h7,9,13H,5-6,8H2,1-4H3
InChIKeyVHQOMABWCDMHNI-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.59
Rot. Bonds6

About N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine

N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine (PubChem CID 80635616) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine
PubChem CID80635616
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H21N3O2S/c1-10-7-11(8-13-2)9-14-12(10)15(3)5-6-18(4,16)17/h7,9,13H,5-6,8H2,1-4H3
InChIKeyVHQOMABWCDMHNI-UHFFFAOYSA-N
XLogP0.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine?
The IUPAC name of N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine (CID 80635616) is N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine is CNCc1cnc(N(C)CCS(C)(=O)=O)c(C)c1.
What is the InChIKey of N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine?
The InChIKey is VHQOMABWCDMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10-7-11(8-13-2)9-14-12(10)15(3)5-6-18(4,16)17/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine?
N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine has a molecular weight of 271.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 80635616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).