1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone

C14H17NO2S — CID 146552543

IUPAC1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CCCN(S(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H17NO2S/c1-11-5-7-14(8-6-11)18(17)15-9-3-4-13(10-15)12(2)16/h4-8H,3,9-10H2,1-2H3
InChIKeyMSWMVEUNUIVQNI-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.24
Rot. Bonds3

About 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone

1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone (PubChem CID 146552543) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
PubChem CID146552543
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CCCN(S(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H17NO2S/c1-11-5-7-14(8-6-11)18(17)15-9-3-4-13(10-15)12(2)16/h4-8H,3,9-10H2,1-2H3
InChIKeyMSWMVEUNUIVQNI-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(4-bromophenyl)sulfinyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 146552540
ethane;1-(4-methylphenyl)sulfinylpiperidine
CID 178050291
1-(4-methylphenyl)sulfinylpiperidin-4-one
CID 143482255
1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine
CID 164656274
4-bromo-1-(4-methylphenyl)sulfinylpyrrolidin-3-ol;ethane
CID 145128247
1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 45086400
(6aS)-4-methyl-2-(4-methylphenyl)sulfinyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 101093212
methyl 1-(4-methylphenyl)sulfinylaziridine-2-carboxylate
CID 19067230
3,3-dimethyl-8-(4-methylphenyl)sulfinyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143482232
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
methyl 2-[(1R)-2-(4-methylphenyl)sulfinylcyclopent-2-en-1-yl]acetate
CID 101125676
methyl 2-[(1S)-2-(4-methylphenyl)sulfinylcyclopent-2-en-1-yl]acetate
CID 101125677

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone (CID 146552543) is 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone is CC(=O)C1=CCCN(S(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The InChIKey is MSWMVEUNUIVQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-11-5-7-14(8-6-11)18(17)15-9-3-4-13(10-15)12(2)16/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone has a molecular weight of 263.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfinyl-3,6-dihydro-2H-pyridin-5-yl]ethanone is sourced from PubChem (CID 146552543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).