N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine

C12H18N2O3S — CID 106545829

IUPACN-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine
SMILESCCOC1CC(Nc2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C12H18N2O3S/c1-3-17-10-7-9(8-10)14-12-11(18(2,15)16)5-4-6-13-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyZPXWDIPQOMNXQM-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.46
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine

N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine (PubChem CID 106545829) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine
PubChem CID106545829
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine
SMILESCCOC1CC(Nc2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C12H18N2O3S/c1-3-17-10-7-9(8-10)14-12-11(18(2,15)16)5-4-6-13-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyZPXWDIPQOMNXQM-UHFFFAOYSA-N
XLogP1.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine (CID 106545829) is N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine is CCOC1CC(Nc2ncccc2S(C)(=O)=O)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is ZPXWDIPQOMNXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-17-10-7-9(8-10)14-12-11(18(2,15)16)5-4-6-13-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine?
N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 270.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 106545829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).