2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline

C17H23N3O2S — CID 99790091

IUPAC2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCCc1cn2c(n1)CCCC2
InChIInChI=1S/C17H23N3O2S/c1-2-23(21,22)16-8-4-3-7-15(16)18-11-10-14-13-20-12-6-5-9-17(20)19-14/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyOXEKNCBLNVNGQK-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.67
Rot. Bonds6

About 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline

2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline (PubChem CID 99790091) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline
PubChem CID99790091
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCCc1cn2c(n1)CCCC2
InChIInChI=1S/C17H23N3O2S/c1-2-23(21,22)16-8-4-3-7-15(16)18-11-10-14-13-20-12-6-5-9-17(20)19-14/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyOXEKNCBLNVNGQK-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-2-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline
CID 133393359
1-[6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]-3-pyridinyl]ethanone
CID 91650965
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]benzamide
CID 42950879
2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]-3H-quinazolin-4-one
CID 137264176
2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine
CID 133371065
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline
CID 61146886
2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
CID 102846547
1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 42892000
trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 95276765
1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 136559224
2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 102846338
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-sulfonamide
CID 122283247

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline (CID 99790091) is 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline is CCS(=O)(=O)c1ccccc1NCCc1cn2c(n1)CCCC2.
What is the InChIKey of 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline?
The InChIKey is OXEKNCBLNVNGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-23(21,22)16-8-4-3-7-15(16)18-11-10-14-13-20-12-6-5-9-17(20)19-14/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3.
What are the key properties of 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline?
2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline has a molecular weight of 333.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 99790091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).