4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine

C15H26N2O2S — CID 65095907

IUPAC4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1ncccc1C
InChIInChI=1S/C15H26N2O2S/c1-4-10-16-14(9-7-12-20(18,19)5-2)15-13(3)8-6-11-17-15/h6,8,11,14,16H,4-5,7,9-10,12H2,1-3H3
InChIKeyYGYBNGPSEVJKIM-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.65
Rot. Bonds9

About 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine

4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine (PubChem CID 65095907) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
PubChem CID65095907
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1ncccc1C
InChIInChI=1S/C15H26N2O2S/c1-4-10-16-14(9-7-12-20(18,19)5-2)15-13(3)8-6-11-17-15/h6,8,11,14,16H,4-5,7,9-10,12H2,1-3H3
InChIKeyYGYBNGPSEVJKIM-UHFFFAOYSA-N
XLogP2.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 64566396
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810
N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
1-(3-bromo-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114982999
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine
CID 104806146
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62604509
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine (CID 65095907) is 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)c1ncccc1C.
What is the InChIKey of 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is YGYBNGPSEVJKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-10-16-14(9-7-12-20(18,19)5-2)15-13(3)8-6-11-17-15/h6,8,11,14,16H,4-5,7,9-10,12H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine?
4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 65095907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).