2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine

C13H22N2O3S — CID 106728413

IUPAC2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
SMILESCc1ccc(OCCS(=O)(=O)C(C)C)c(CCN)n1
InChIInChI=1S/C13H22N2O3S/c1-10(2)19(16,17)9-8-18-13-5-4-11(3)15-12(13)6-7-14/h4-5,10H,6-9,14H2,1-3H3
InChIKeyGEFYXSNKCMVBOG-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.09
Rot. Bonds7

About 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine

2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine (PubChem CID 106728413) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
PubChem CID106728413
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
SMILESCc1ccc(OCCS(=O)(=O)C(C)C)c(CCN)n1
InChIInChI=1S/C13H22N2O3S/c1-10(2)19(16,17)9-8-18-13-5-4-11(3)15-12(13)6-7-14/h4-5,10H,6-9,14H2,1-3H3
InChIKeyGEFYXSNKCMVBOG-UHFFFAOYSA-N
XLogP1.09
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(bromomethyl)-6-methyl-3-(2-propan-2-ylsulfonylethoxy)pyridine
CID 106726592
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79169482
2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
CID 79169208
2-[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]ethanamine
CID 103013161
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721632
2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169642
2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79168660

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine (CID 106728413) is 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine is Cc1ccc(OCCS(=O)(=O)C(C)C)c(CCN)n1.
What is the InChIKey of 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine?
The InChIKey is GEFYXSNKCMVBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)19(16,17)9-8-18-13-5-4-11(3)15-12(13)6-7-14/h4-5,10H,6-9,14H2,1-3H3.
What are the key properties of 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine?
2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 106728413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).