4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine

C11H13N3O3S2 — CID 156772502

IUPAC4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine
SMILESCS(=O)(=O)c1ncnc2c(N3CCOCC3)csc12
InChIInChI=1S/C11H13N3O3S2/c1-19(15,16)11-10-9(12-7-13-11)8(6-18-10)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChIKeyZTRJIYLQMPDBJC-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.93
Rot. Bonds2

About 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine

4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine (PubChem CID 156772502) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine
PubChem CID156772502
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine
SMILESCS(=O)(=O)c1ncnc2c(N3CCOCC3)csc12
InChIInChI=1S/C11H13N3O3S2/c1-19(15,16)11-10-9(12-7-13-11)8(6-18-10)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChIKeyZTRJIYLQMPDBJC-UHFFFAOYSA-N
XLogP0.93
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methylsulfanylthieno[3,2-d]pyrimidin-7-yl)morpholine
CID 146460550
1-methyl-1-(7-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460551
4-(5-methylsulfonyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
CID 90706830
4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 124829142
N-methyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172893051
4-[[7-(3-methyl-4-morpholin-4-ylanilino)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 89145726
N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 17406696
ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
CID 142505811
4-(7-methoxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)morpholine
CID 91806187
4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
CID 103381681
4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-1,4-oxazepane
CID 139355711
7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644945

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine (CID 156772502) is 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine is CS(=O)(=O)c1ncnc2c(N3CCOCC3)csc12.
What is the InChIKey of 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine?
The InChIKey is ZTRJIYLQMPDBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-19(15,16)11-10-9(12-7-13-11)8(6-18-10)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine?
4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine has a molecular weight of 299.38 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylthieno[3,2-d]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 156772502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).