5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one

C14H16N2O3S2 — CID 60959467

IUPAC5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one
SMILESCCC1c2ccsc2CCN1S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H16N2O3S2/c1-2-12-11-6-8-20-13(11)5-7-16(12)21(18,19)10-3-4-14(17)15-9-10/h3-4,6,8-9,12H,2,5,7H2,1H3,(H,15,17)
InChIKeyYVEFDGYMYICWDN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.13
Rot. Bonds3

About 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one

5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one (PubChem CID 60959467) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one
PubChem CID60959467
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one
SMILESCCC1c2ccsc2CCN1S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H16N2O3S2/c1-2-12-11-6-8-20-13(11)5-7-16(12)21(18,19)10-3-4-14(17)15-9-10/h3-4,6,8-9,12H,2,5,7H2,1H3,(H,15,17)
InChIKeyYVEFDGYMYICWDN-UHFFFAOYSA-N
XLogP2.13
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide
CID 51263474
5-(2-chloroethylsulfonyl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107651076
[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 26002365
4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71850785
4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 46442110
methyl 3-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2-methylpropanoate
CID 122137671
3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione
CID 9320904
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-2-ol
CID 110932538
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63616386
(4R)-5-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 41187095
(4S)-5-(4-methoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 38259146
5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696371

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one (CID 60959467) is 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one is CCC1c2ccsc2CCN1S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one?
The InChIKey is YVEFDGYMYICWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-2-12-11-6-8-20-13(11)5-7-16(12)21(18,19)10-3-4-14(17)15-9-10/h3-4,6,8-9,12H,2,5,7H2,1H3,(H,15,17).
What are the key properties of 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one?
5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one has a molecular weight of 324.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one is sourced from PubChem (CID 60959467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).