N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine

C12H20N2O2S — CID 114984281

IUPACN-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1cccnc1C
InChIInChI=1S/C12H20N2O2S/c1-4-13-12(7-9-17(3,15)16)11-6-5-8-14-10(11)2/h5-6,8,12-13H,4,7,9H2,1-3H3
InChIKeyKODORMUPNZQDDS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.48
Rot. Bonds6

About N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine

N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine (PubChem CID 114984281) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
PubChem CID114984281
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1cccnc1C
InChIInChI=1S/C12H20N2O2S/c1-4-13-12(7-9-17(3,15)16)11-6-5-8-14-10(11)2/h5-6,8,12-13H,4,7,9H2,1-3H3
InChIKeyKODORMUPNZQDDS-UHFFFAOYSA-N
XLogP1.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
N-ethyl-1-(2-methyl-3-pyridinyl)but-3-yn-1-amine
CID 105077584
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
2-(2,6-dimethylphenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105174636
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105101754
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848474
N-ethyl-3-methylsulfonyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115848221
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574
N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848432
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine (CID 114984281) is N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine is CCNC(CCS(C)(=O)=O)c1cccnc1C.
What is the InChIKey of N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is KODORMUPNZQDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-13-12(7-9-17(3,15)16)11-6-5-8-14-10(11)2/h5-6,8,12-13H,4,7,9H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine?
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 114984281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).