2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one

C13H20N2O3S — CID 71154587

IUPAC2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one
SMILESCCNC(CS(=O)(=O)Cc1cccnc1)C(=O)CC
InChIInChI=1S/C13H20N2O3S/c1-3-13(16)12(15-4-2)10-19(17,18)9-11-6-5-7-14-8-11/h5-8,12,15H,3-4,9-10H2,1-2H3
InChIKeyUNKWTMXWEYLAIS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.95
Rot. Bonds8

About 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one

2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one (PubChem CID 71154587) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one
PubChem CID71154587
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one
SMILESCCNC(CS(=O)(=O)Cc1cccnc1)C(=O)CC
InChIInChI=1S/C13H20N2O3S/c1-3-13(16)12(15-4-2)10-19(17,18)9-11-6-5-7-14-8-11/h5-8,12,15H,3-4,9-10H2,1-2H3
InChIKeyUNKWTMXWEYLAIS-UHFFFAOYSA-N
XLogP0.95
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
CID 59070093
CID 59070093
2-(ethylamino)-3-oxopentane-1-sulfonic acid
CID 167068949
3-(pyridin-3-ylmethylsulfonyl)propanamide
CID 90715302
(2R)-2-[[(1S)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-(pyridin-3-ylmethylsulfonyl)propanamide
CID 69252468
2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide
CID 146104224
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
4-methyl-1-pyridin-3-ylheptan-3-one
CID 107891307
ethyl pyridin-3-ylmethanesulfonate
CID 174906539
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one?
The IUPAC name of 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one (CID 71154587) is 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one.
What is the SMILES notation for 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one?
The canonical SMILES for 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one is CCNC(CS(=O)(=O)Cc1cccnc1)C(=O)CC.
What is the InChIKey of 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one?
The InChIKey is UNKWTMXWEYLAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-13(16)12(15-4-2)10-19(17,18)9-11-6-5-7-14-8-11/h5-8,12,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one?
2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one has a molecular weight of 284.38 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one is sourced from PubChem (CID 71154587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).