N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine

C12H20N2O2S — CID 115799186

IUPACN-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
SMILESCCNC(c1cccnc1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-5-14-11(10-7-6-8-13-9-10)12(2,3)17(4,15)16/h6-9,11,14H,5H2,1-4H3
InChIKeyZNZTYYOZHSZLSK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.56
Rot. Bonds5

About N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine

N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 115799186) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
PubChem CID115799186
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
SMILESCCNC(c1cccnc1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-5-14-11(10-7-6-8-13-9-10)12(2,3)17(4,15)16/h6-9,11,14H,5H2,1-4H3
InChIKeyZNZTYYOZHSZLSK-UHFFFAOYSA-N
XLogP1.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine (CID 115799186) is N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine is CCNC(c1cccnc1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is ZNZTYYOZHSZLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14-11(10-7-6-8-13-9-10)12(2,3)17(4,15)16/h6-9,11,14H,5H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine?
N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 115799186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).