2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine

C16H20N2O2S — CID 103948036

IUPAC2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O2S/c1-2-21(19,20)13-12-18-16(14-8-4-3-5-9-14)15-10-6-7-11-17-15/h3-11,16,18H,2,12-13H2,1H3
InChIKeyNUYVWLSVLCHFSZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.20
Rot. Bonds7

About 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine

2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine (PubChem CID 103948036) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
PubChem CID103948036
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O2S/c1-2-21(19,20)13-12-18-16(14-8-4-3-5-9-14)15-10-6-7-11-17-15/h3-11,16,18H,2,12-13H2,1H3
InChIKeyNUYVWLSVLCHFSZ-UHFFFAOYSA-N
XLogP2.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
CID 104926413
4,4,4-trifluoro-N-[phenyl(pyridin-2-yl)methyl]butan-1-amine
CID 115516236
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 86791432
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine (CID 103948036) is 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine is CCS(=O)(=O)CCNC(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The InChIKey is NUYVWLSVLCHFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-21(19,20)13-12-18-16(14-8-4-3-5-9-14)15-10-6-7-11-17-15/h3-11,16,18H,2,12-13H2,1H3.
What are the key properties of 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine has a molecular weight of 304.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine is sourced from PubChem (CID 103948036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).