(3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one

C13H14N2O2S2 — CID 6599806

IUPAC(3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one
SMILESCc1nc(S[C@H]2CCOC2=O)c2c(C)c(C)sc2n1
InChIInChI=1S/C13H14N2O2S2/c1-6-7(2)18-11-10(6)12(15-8(3)14-11)19-9-4-5-17-13(9)16/h9H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyDRTFKGMFRMJVSK-VIFPVBQESA-N
MW294.40 g/mol
LogP3.02
Rot. Bonds2

About (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one

(3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one (PubChem CID 6599806) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one
PubChem CID6599806
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name(3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one
SMILESCc1nc(S[C@H]2CCOC2=O)c2c(C)c(C)sc2n1
InChIInChI=1S/C13H14N2O2S2/c1-6-7(2)18-11-10(6)12(15-8(3)14-11)19-9-4-5-17-13(9)16/h9H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyDRTFKGMFRMJVSK-VIFPVBQESA-N
XLogP3.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one with MolForge

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Related Compounds

3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]oxolan-2-one
CID 17394319
(3R)-3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]oxolan-2-one
CID 7888148
(3S)-1-methyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyrrolidin-2-one
CID 95346513
5,6-dimethyl-3-(2-methylpropyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 7896281
5,6-dimethyl-2-[(3S)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 784108
(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
[(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212320
4,5,6-trimethyl-2-(2-oxooxolan-3-yl)sulfanylpyridine-3-carbonitrile
CID 17390571
4,5,6-trimethyl-2-[(3S)-2-oxooxolan-3-yl]sulfanylpyridine-3-carbonitrile
CID 40665148
potassium 5-methyl-4-oxo-2-(2-oxooxolan-3-yl)sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 126456610
(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
CID 35501475
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1435403

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one?
The IUPAC name of (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one (CID 6599806) is (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one.
What is the SMILES notation for (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one?
The canonical SMILES for (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one is Cc1nc(S[C@H]2CCOC2=O)c2c(C)c(C)sc2n1.
What is the InChIKey of (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one?
The InChIKey is DRTFKGMFRMJVSK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-6-7(2)18-11-10(6)12(15-8(3)14-11)19-9-4-5-17-13(9)16/h9H,4-5H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one?
(3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 6599806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).