4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one

C13H15N3O4S2 — CID 137140127

IUPAC4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1
InChIInChI=1S/C13H15N3O4S2/c1-9-7-11(17)15-13(14-9)10-8-16(4-5-20-10)22(18,19)12-3-2-6-21-12/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,15,17)/t10-/m1/s1
InChIKeyQBQBDNLJSIBMPI-SNVBAGLBSA-N
MW341.41 g/mol
LogP0.90
Rot. Bonds3

About 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137140127) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137140127
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1
InChIInChI=1S/C13H15N3O4S2/c1-9-7-11(17)15-13(14-9)10-8-16(4-5-20-10)22(18,19)12-3-2-6-21-12/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,15,17)/t10-/m1/s1
InChIKeyQBQBDNLJSIBMPI-SNVBAGLBSA-N
XLogP0.90
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137166559
N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide
CID 136844285
2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137052887
(2R)-2-pyrazin-2-yl-4-thiophen-2-ylsulfonylmorpholine
CID 124961088
2-pyrazin-2-yl-4-thiophen-2-ylsulfonylmorpholine
CID 127246278
4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline
CID 110364270
4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137030427
4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137168467
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
4-methyl-2-[(2R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140130

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one (CID 137140127) is 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1.
What is the InChIKey of 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is QBQBDNLJSIBMPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-9-7-11(17)15-13(14-9)10-8-16(4-5-20-10)22(18,19)12-3-2-6-21-12/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,15,17)/t10-/m1/s1.
What are the key properties of 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 341.41 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137140127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).