N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine

C11H19N3O2S — CID 79844182

IUPACN-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)C(CN)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-14(6-7-17(2,15)16)11(8-12)10-4-3-5-13-9-10/h3-5,9,11H,6-8,12H2,1-2H3
InChIKeyUWTTYMBVISBXAN-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.06
Rot. Bonds6

About N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine

N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 79844182) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
PubChem CID79844182
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)C(CN)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-14(6-7-17(2,15)16)11(8-12)10-4-3-5-13-9-10/h3-5,9,11H,6-8,12H2,1-2H3
InChIKeyUWTTYMBVISBXAN-UHFFFAOYSA-N
XLogP0.06
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide
CID 106914569
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
CID 43270152
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
3-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropanoic acid
CID 79859062
N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
CID 79858682

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine (CID 79844182) is N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine is CN(CCS(C)(=O)=O)C(CN)c1cccnc1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is UWTTYMBVISBXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-14(6-7-17(2,15)16)11(8-12)10-4-3-5-13-9-10/h3-5,9,11H,6-8,12H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine?
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 257.36 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 79844182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).