5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one

C12H15NO3S2 — CID 106731694

IUPAC5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one
SMILESCC(C)S(=O)(=O)CCn1ccc2sccc2c1=O
InChIInChI=1S/C12H15NO3S2/c1-9(2)18(15,16)8-6-13-5-3-11-10(12(13)14)4-7-17-11/h3-5,7,9H,6,8H2,1-2H3
InChIKeyMDJIQVRLLJFCAM-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.89
Rot. Bonds4

About 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one

5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one (PubChem CID 106731694) has the molecular formula C12H15NO3S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one
PubChem CID106731694
Molecular FormulaC12H15NO3S2
Molecular Weight285.39 g/mol
Exact Mass285.05
IUPAC Name5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one
SMILESCC(C)S(=O)(=O)CCn1ccc2sccc2c1=O
InChIInChI=1S/C12H15NO3S2/c1-9(2)18(15,16)8-6-13-5-3-11-10(12(13)14)4-7-17-11/h3-5,7,9H,6,8H2,1-2H3
InChIKeyMDJIQVRLLJFCAM-UHFFFAOYSA-N
XLogP1.89
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-[2-(1-thiophen-2-ylethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912125
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
CID 105344666
5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
CID 116626889
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973
3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
CID 106731636
5-[2-hydroxy-3-(2-methylpropylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 112557026
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
CID 104599398
5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
CID 103482414

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one (CID 106731694) is 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one is CC(C)S(=O)(=O)CCn1ccc2sccc2c1=O.
What is the InChIKey of 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is MDJIQVRLLJFCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S2/c1-9(2)18(15,16)8-6-13-5-3-11-10(12(13)14)4-7-17-11/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one?
5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 285.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 106731694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).