2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone

C12H15NO3S2 — CID 138012655

IUPAC2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
SMILESO=C(CS(=O)(=O)C1CC1)N1CCc2ccsc2C1
InChIInChI=1S/C12H15NO3S2/c14-12(8-18(15,16)10-1-2-10)13-5-3-9-4-6-17-11(9)7-13/h4,6,10H,1-3,5,7-8H2
InChIKeyZTCFNIOFHAYJOF-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.21
Rot. Bonds3

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

2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone (PubChem CID 138012655) has the molecular formula C12H15NO3S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
PubChem CID138012655
Molecular FormulaC12H15NO3S2
Molecular Weight285.39 g/mol
Exact Mass285.05
IUPAC Name2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
SMILESO=C(CS(=O)(=O)C1CC1)N1CCc2ccsc2C1
InChIInChI=1S/C12H15NO3S2/c14-12(8-18(15,16)10-1-2-10)13-5-3-9-4-6-17-11(9)7-13/h4,6,10H,1-3,5,7-8H2
InChIKeyZTCFNIOFHAYJOF-UHFFFAOYSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The IUPAC name of 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone (CID 138012655) is 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The canonical SMILES for 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone is O=C(CS(=O)(=O)C1CC1)N1CCc2ccsc2C1.
What is the InChIKey of 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The InChIKey is ZTCFNIOFHAYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S2/c14-12(8-18(15,16)10-1-2-10)13-5-3-9-4-6-17-11(9)7-13/h4,6,10H,1-3,5,7-8H2.
What are the key properties of 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 138012655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).