3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one

C20H21N3O2S2 — CID 46661639

IUPAC3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SC(C(=O)N2CCCCC2)c2ccccc2)nc2ccsc2c1=O
InChIInChI=1S/C20H21N3O2S2/c1-22-18(24)17-15(10-13-26-17)21-20(22)27-16(14-8-4-2-5-9-14)19(25)23-11-6-3-7-12-23/h2,4-5,8-10,13,16H,3,6-7,11-12H2,1H3
InChIKeyPCZMPTVLJXNTLN-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.84
Rot. Bonds4

About 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one

3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one (PubChem CID 46661639) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
PubChem CID46661639
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SC(C(=O)N2CCCCC2)c2ccccc2)nc2ccsc2c1=O
InChIInChI=1S/C20H21N3O2S2/c1-22-18(24)17-15(10-13-26-17)21-20(22)27-16(14-8-4-2-5-9-14)19(25)23-11-6-3-7-12-23/h2,4-5,8-10,13,16H,3,6-7,11-12H2,1H3
InChIKeyPCZMPTVLJXNTLN-UHFFFAOYSA-N
XLogP3.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25334103
2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 46660911
2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one
CID 24654189
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 18199015
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24559266
3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
3-benzyl-2-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 40820266
3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 8981712
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone
CID 60601392
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 46690854
2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 42886339
(2R)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone
CID 7715733

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one (CID 46661639) is 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one is Cn1c(SC(C(=O)N2CCCCC2)c2ccccc2)nc2ccsc2c1=O.
What is the InChIKey of 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is PCZMPTVLJXNTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-22-18(24)17-15(10-13-26-17)21-20(22)27-16(14-8-4-2-5-9-14)19(25)23-11-6-3-7-12-23/h2,4-5,8-10,13,16H,3,6-7,11-12H2,1H3.
What are the key properties of 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one?
3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 399.54 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 46661639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).