3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one

C11H14N2O3S2 — CID 106731636

IUPAC3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)S(=O)(=O)CCn1cnc2ccsc2c1=O
InChIInChI=1S/C11H14N2O3S2/c1-8(2)18(15,16)6-4-13-7-12-9-3-5-17-10(9)11(13)14/h3,5,7-8H,4,6H2,1-2H3
InChIKeyLKUBVZIPCHEHIU-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.28
Rot. Bonds4

About 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one

3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 106731636) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID106731636
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)S(=O)(=O)CCn1cnc2ccsc2c1=O
InChIInChI=1S/C11H14N2O3S2/c1-8(2)18(15,16)6-4-13-7-12-9-3-5-17-10(9)11(13)14/h3,5,7-8H,4,6H2,1-2H3
InChIKeyLKUBVZIPCHEHIU-UHFFFAOYSA-N
XLogP1.28
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
CID 116620736
3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
CID 62563421
3-[2-(4-bromophenyl)sulfonylethyl]thieno[3,2-d]pyrimidin-4-one
CID 24578383
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide
CID 39796767
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 116620730
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39754273
3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
CID 62563244
3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one
CID 146082880
4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide
CID 39013934

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one (CID 106731636) is 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one is CC(C)S(=O)(=O)CCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LKUBVZIPCHEHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-8(2)18(15,16)6-4-13-7-12-9-3-5-17-10(9)11(13)14/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one?
3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 106731636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).