2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine

C15H27N3O2S — CID 106906865

IUPAC2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCN(CCS(C)(=O)=O)Cc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C15H27N3O2S/c1-15(2,3)16-11-13-7-6-8-14(17-13)12-18(4)9-10-21(5,19)20/h6-8,16H,9-12H2,1-5H3
InChIKeyUTFQGDXVHMNYJF-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.45
Rot. Bonds7

About 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106906865) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106906865
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCN(CCS(C)(=O)=O)Cc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C15H27N3O2S/c1-15(2,3)16-11-13-7-6-8-14(17-13)12-18(4)9-10-21(5,19)20/h6-8,16H,9-12H2,1-5H3
InChIKeyUTFQGDXVHMNYJF-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 106906368
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820
N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905994
N-[[6-[[cyclobutylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106906442
N-[[6-[2-(diethylamino)ethoxymethyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908088
N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine
CID 106906400
6-[(tert-butylamino)methyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 62278708
N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 131982469
N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 115622483
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
6-[(tert-butylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 63210840
6-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine (CID 106906865) is 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine is CN(CCS(C)(=O)=O)Cc1cccc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is UTFQGDXVHMNYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-15(2,3)16-11-13-7-6-8-14(17-13)12-18(4)9-10-21(5,19)20/h6-8,16H,9-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 313.47 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106906865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).