3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one

C16H21N3O2S2 — CID 3677285

IUPAC3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCC(=O)N2CCCCC2C)nc2ccsc2c1=O
InChIInChI=1S/C16H21N3O2S2/c1-3-18-15(21)14-12(7-9-22-14)17-16(18)23-10-13(20)19-8-5-4-6-11(19)2/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyMHLYFSCUBABZJV-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.97
Rot. Bonds4

About 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one

3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one (PubChem CID 3677285) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
PubChem CID3677285
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCC(=O)N2CCCCC2C)nc2ccsc2c1=O
InChIInChI=1S/C16H21N3O2S2/c1-3-18-15(21)14-12(7-9-22-14)17-16(18)23-10-13(20)19-8-5-4-6-11(19)2/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyMHLYFSCUBABZJV-UHFFFAOYSA-N
XLogP2.97
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-Butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 3239592
4-[2-[(2-Ethoxy-2-oxoethyl)thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-1-piperidinecarboxylic acid ethyl ester
CID 3241294
Ethyl 4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-D]pyrimidin-3(4H)-YL]tetrahydro-1(2H)-pyridinecarboxylate
CID 9550584
2-[(3-Fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 16024234
N-(4-methylbenzyl)-1-(4-oxo-4H-thieno[3,2-d][1,3]thiazin-2-yl)piperidine-3-carboxamide
CID 16194015
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
2-[(3-Fluorophenyl)methylsulfanyl]-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one
CID 3666948
2-(benzylsulfanyl)-3-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 3799614

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one (CID 3677285) is 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one is CCn1c(SCC(=O)N2CCCCC2C)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is MHLYFSCUBABZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-3-18-15(21)14-12(7-9-22-14)17-16(18)23-10-13(20)19-8-5-4-6-11(19)2/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 351.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3677285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).