4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine

C13H22N2O3S — CID 105152636

IUPAC4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)c1cccnc1OC
InChIInChI=1S/C13H22N2O3S/c1-4-19(16,17)10-6-8-12(14-2)11-7-5-9-15-13(11)18-3/h5,7,9,12,14H,4,6,8,10H2,1-3H3
InChIKeyRPKNYGJCAKAHBM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.57
Rot. Bonds8

About 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine

4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine (PubChem CID 105152636) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine
PubChem CID105152636
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)c1cccnc1OC
InChIInChI=1S/C13H22N2O3S/c1-4-19(16,17)10-6-8-12(14-2)11-7-5-9-15-13(11)18-3/h5,7,9,12,14H,4,6,8,10H2,1-3H3
InChIKeyRPKNYGJCAKAHBM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
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4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082597
1-(2-tert-butylphenyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 104986270
1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
1-(2-methoxy-3-pyridinyl)propylhydrazine
CID 105281861
2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105151971
2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105177427
2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105085579
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine (CID 105152636) is 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine is CCS(=O)(=O)CCCC(NC)c1cccnc1OC.
What is the InChIKey of 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine?
The InChIKey is RPKNYGJCAKAHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-19(16,17)10-6-8-12(14-2)11-7-5-9-15-13(11)18-3/h5,7,9,12,14H,4,6,8,10H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine?
4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine is sourced from PubChem (CID 105152636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).