3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine

C12H21N3O2S — CID 79841926

IUPAC3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCc1cc(C)c(CN)c(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C12H21N3O2S/c1-9-7-10(2)14-12(11(9)8-13)15(3)5-6-18(4,16)17/h7H,5-6,8,13H2,1-4H3
InChIKeyWXVMJRQFNSIKHN-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.64
Rot. Bonds5

About 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine

3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine (PubChem CID 79841926) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine
PubChem CID79841926
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCc1cc(C)c(CN)c(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C12H21N3O2S/c1-9-7-10(2)14-12(11(9)8-13)15(3)5-6-18(4,16)17/h7H,5-6,8,13H2,1-4H3
InChIKeyWXVMJRQFNSIKHN-UHFFFAOYSA-N
XLogP0.64
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine (CID 79841926) is 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine is Cc1cc(C)c(CN)c(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The InChIKey is WXVMJRQFNSIKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-7-10(2)14-12(11(9)8-13)15(3)5-6-18(4,16)17/h7H,5-6,8,13H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine has a molecular weight of 271.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 79841926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).