N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine

C13H22N2O3S — CID 79150598

IUPACN-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OCCS(C)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-4-7-14-10-12-13(6-5-11(2)15-12)18-8-9-19(3,16)17/h5-6,14H,4,7-10H2,1-3H3
InChIKeyHMQOBUPOJMBTKT-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.31
Rot. Bonds8

About N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79150598) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID79150598
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OCCS(C)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-4-7-14-10-12-13(6-5-11(2)15-12)18-8-9-19(3,16)17/h5-6,14H,4,7-10H2,1-3H3
InChIKeyHMQOBUPOJMBTKT-UHFFFAOYSA-N
XLogP1.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79157906
N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157744
N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 106704703
N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79151066

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine (CID 79150598) is N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(C)ccc1OCCS(C)(=O)=O.
What is the InChIKey of N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is HMQOBUPOJMBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-7-14-10-12-13(6-5-11(2)15-12)18-8-9-19(3,16)17/h5-6,14H,4,7-10H2,1-3H3.
What are the key properties of N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79150598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).