N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine

C12H20N2O2S — CID 84590033

IUPACN-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine
SMILESCCN(CCS(C)(=O)=O)C(C)c1ccccn1
InChIInChI=1S/C12H20N2O2S/c1-4-14(9-10-17(3,15)16)11(2)12-7-5-6-8-13-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyOJTLDAJATMYFNP-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.51
Rot. Bonds6

About N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine

N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine (PubChem CID 84590033) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine
PubChem CID84590033
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine
SMILESCCN(CCS(C)(=O)=O)C(C)c1ccccn1
InChIInChI=1S/C12H20N2O2S/c1-4-14(9-10-17(3,15)16)11(2)12-7-5-6-8-13-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyOJTLDAJATMYFNP-UHFFFAOYSA-N
XLogP1.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol
CID 97329633
N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 101339503
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 95614918
1-methylsulfonyl-3-pyridin-2-ylbutan-2-amine
CID 66448366
2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine
CID 66453564
N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
N-ethyl-N-(2-methylsulfonylethyl)heptan-4-amine
CID 155420092
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 75433712
N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 4209849
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine (CID 84590033) is N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine is CCN(CCS(C)(=O)=O)C(C)c1ccccn1.
What is the InChIKey of N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine?
The InChIKey is OJTLDAJATMYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-14(9-10-17(3,15)16)11(2)12-7-5-6-8-13-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine?
N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine has a molecular weight of 256.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 84590033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).